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Benzenesulfonamides

Organic compounds that consist of a benzene ring substituted with a sulfonyl group that is subsequently bonded to an amino group; considered the amide of benzenesulfonic acid.
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1

4-(Trifluoromethyl)benzenesulfonamide, 97%

CAS: 830-43-3 Molecular Formula: C7H6F3NO2S Molecular Weight (g/mol): 225.185 MDL Number: MFCD00159251 InChI Key: TVHXQQJDMHKGGK-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzenesulfonamide,4-trifluoromethyl benzene-1-sulfonamide,benzenesulfonamide, p-trifluoromethyl,4-trifluoromethylbenzenesulphonamide,p-trifluoromethyl benzenesulfonamide,4-trifluoromethyl benzenesulphonamide,benzenesulfonamide, 4-trifluoromethyl,p-trifluoromethylbenzenesulfonamide,alpha,alpha,alpha-trifluoro-p-toluenesulphonamide,pubchem11767 PubChem CID: 70018 IUPAC Name: 4-(trifluoromethyl)benzenesulfonamide SMILES: C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)N

PubChem CID 70018
CAS 830-43-3
Molecular Weight (g/mol) 225.185
MDL Number MFCD00159251
SMILES C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)N
Synonym 4-trifluoromethyl benzenesulfonamide,4-trifluoromethyl benzene-1-sulfonamide,benzenesulfonamide, p-trifluoromethyl,4-trifluoromethylbenzenesulphonamide,p-trifluoromethyl benzenesulfonamide,4-trifluoromethyl benzenesulphonamide,benzenesulfonamide, 4-trifluoromethyl,p-trifluoromethylbenzenesulfonamide,alpha,alpha,alpha-trifluoro-p-toluenesulphonamide,pubchem11767
IUPAC Name 4-(trifluoromethyl)benzenesulfonamide
InChI Key TVHXQQJDMHKGGK-UHFFFAOYSA-N
Molecular Formula C7H6F3NO2S
2

2,4-Disulfamyl-5-trifluoromethylaniline, TRC

CAS: 654-62-6 Molecular Formula: C7 H8 F3 N3 O4 S2 Molecular Weight (g/mol): 319.28 Synonym: 4-Amino-6-(trifluoromethyl)benzene-1,3-disulphonamide,1,3-Benzenedisulfonamide, 4-amino-6-(trifluoromethyl)-,Toluene-2,4-disulfonamide, 5-amino-α,α,α-trifluoro- (6CI,7CI,8CI),2,4-Disulfamoyl-5-trifluoromethylaniline,4-Amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide,5-Trifluoromethyl-2,4-disulfamoylaniline,NSC 44625 IUPAC Name: 4-amino-6-(trifluoromethyl)benzene-1,3-disulfonamide SMILES: Nc1cc(c(cc1S(=O)(=O)N)S(=O)(=O)N)C(F)(F)F

CAS 654-62-6
Molecular Weight (g/mol) 319.28
SMILES Nc1cc(c(cc1S(=O)(=O)N)S(=O)(=O)N)C(F)(F)F
Synonym 4-Amino-6-(trifluoromethyl)benzene-1,3-disulphonamide,1,3-Benzenedisulfonamide, 4-amino-6-(trifluoromethyl)-,Toluene-2,4-disulfonamide, 5-amino-α,α,α-trifluoro- (6CI,7CI,8CI),2,4-Disulfamoyl-5-trifluoromethylaniline,4-Amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide,5-Trifluoromethyl-2,4-disulfamoylaniline,NSC 44625
IUPAC Name 4-amino-6-(trifluoromethyl)benzene-1,3-disulfonamide
Molecular Formula C7 H8 F3 N3 O4 S2
3

6alpha,9alpha-Difluoroprednisolone 21-Acetate, TRC

CAS: 52-70-0 Molecular Formula: C23H28F2O6 Molecular Weight (g/mol): 438.46 Synonym: (6α,11β)-21-(Acetyloxy)-6,9-difluoro-11,17-dihydroxypregna-1,4-diene-3,20-dione,6α,9-Difluoro-11β,17,21-trihydroxypregna-1,4-diene-3,20-dione SMILES: O=C(COC(C)=O)[C@@]1(O)CC[C@@]2([H])[C@]3([H])C[C@H](F)C4=CC(C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)=O

CAS 52-70-0
Molecular Weight (g/mol) 438.46
SMILES O=C(COC(C)=O)[C@@]1(O)CC[C@@]2([H])[C@]3([H])C[C@H](F)C4=CC(C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)=O
Synonym (6α,11β)-21-(Acetyloxy)-6,9-difluoro-11,17-dihydroxypregna-1,4-diene-3,20-dione,6α,9-Difluoro-11β,17,21-trihydroxypregna-1,4-diene-3,20-dione
Molecular Formula C23H28F2O6
4

Hydroxy Tolbutamide, TRC

CAS: 5719-85-7 Molecular Formula: C12 H18 N2 O4 S Molecular Weight (g/mol): 286.35 Synonym: 4-Hydroxytolbutamide,N-[(Butylamino)carbonyl]-4-(hydroxymethyl)benzenesulfonamide (ACI),Urea, 1-butyl-3-[(α-hydroxy-p-tolyl)sulfonyl]- (6CI, 7CI, 8CI),1-Butyl-3-(p-hydroxymethylphenyl)sulfonylurea,1-Butyl-3-[4-(hydroxymethyl)phenyl]sulfonylurea,Hydroxymethylcarbutamide,Hydroxymethyltolbutamide,Hydroxytolbutamide IUPAC Name: 1-butyl-3-[4-(hydroxymethyl)phenyl]sulfonylurea SMILES: CCCCNC(=O)NS(=O)(=O)c1ccc(CO)cc1

CAS 5719-85-7
Molecular Weight (g/mol) 286.35
SMILES CCCCNC(=O)NS(=O)(=O)c1ccc(CO)cc1
Synonym 4-Hydroxytolbutamide,N-[(Butylamino)carbonyl]-4-(hydroxymethyl)benzenesulfonamide (ACI),Urea, 1-butyl-3-[(α-hydroxy-p-tolyl)sulfonyl]- (6CI, 7CI, 8CI),1-Butyl-3-(p-hydroxymethylphenyl)sulfonylurea,1-Butyl-3-[4-(hydroxymethyl)phenyl]sulfonylurea,Hydroxymethylcarbutamide,Hydroxymethyltolbutamide,Hydroxytolbutamide
IUPAC Name 1-butyl-3-[4-(hydroxymethyl)phenyl]sulfonylurea
Molecular Formula C12 H18 N2 O4 S
5

Darunavir, TRC

CAS: 206361-99-1 Molecular Formula: C27 H37 N3 O7 S Molecular Weight (g/mol): 547.66 Synonym: Carbamic acid, N-[(1S,2R)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester,Carbamic acid, [(1S,2R)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester (9CI),Carbamic acid, [3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, hexahydrofuro[2,3-b]furan-3-yl ester, [3R-[3α(1S*,2R*),3aβ,6aβ]]-,(-)-Darunavir,Darunavir,Prezista,TMC 114,TMC 114 (inhibitor),TMC 41629,UIC 94017 IUPAC Name: [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate SMILES: CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)S(=O)(=O)c4ccc(N)cc4

CAS 206361-99-1
Molecular Weight (g/mol) 547.66
SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)S(=O)(=O)c4ccc(N)cc4
Synonym Carbamic acid, N-[(1S,2R)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester,Carbamic acid, [(1S,2R)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester (9CI),Carbamic acid, [3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, hexahydrofuro[2,3-b]furan-3-yl ester, [3R-[3α(1S*,2R*),3aβ,6aβ]]-,(-)-Darunavir,Darunavir,Prezista,TMC 114,TMC 114 (inhibitor),TMC 41629,UIC 94017
IUPAC Name [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Molecular Formula C27 H37 N3 O7 S
6

N-α-BOC-N-omega-Tosyl-L-arginine, 97%, contains <15% ethyl acetate, Thermo Scientific™

CAS: 13836-37-8 Molecular Formula: C18H28N4O6S Molecular Weight (g/mol): 428.51 InChI Key: WBIIPXYJAMICNU-AWEZNQCLSA-N Synonym: boc-arg tos-oh,boc-arg tos,n alpha-boc-n omega-tosyl-l-arginine,n 2-tert-butoxycarbonyl-n g-tosyl-l-arginine,2s-2-tert-butoxycarbonyl amino-5-n'-4-methylbenzenesulfonyl carbamimidamido pentanoic acid,l-ornithine, n2-1,1-dimethylethoxy carbonyl-n5-imino 4-methylphenyl sulfonyl amino methyl,boc-arg tos oh,boc-arg ts,ambotzbaa1068,boc arg tos-oh PubChem CID: 83767 IUPAC Name: (2S)-5-[[amino-[(4-methylphenyl)sulfonylamino]methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCCC(C(=O)O)NC(=O)OC(C)(C)C)N

PubChem CID 83767
CAS 13836-37-8
Molecular Weight (g/mol) 428.51
SMILES CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCCC(C(=O)O)NC(=O)OC(C)(C)C)N
Synonym boc-arg tos-oh,boc-arg tos,n alpha-boc-n omega-tosyl-l-arginine,n 2-tert-butoxycarbonyl-n g-tosyl-l-arginine,2s-2-tert-butoxycarbonyl amino-5-n'-4-methylbenzenesulfonyl carbamimidamido pentanoic acid,l-ornithine, n2-1,1-dimethylethoxy carbonyl-n5-imino 4-methylphenyl sulfonyl amino methyl,boc-arg tos oh,boc-arg ts,ambotzbaa1068,boc arg tos-oh
IUPAC Name (2S)-5-[[amino-[(4-methylphenyl)sulfonylamino]methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
InChI Key WBIIPXYJAMICNU-AWEZNQCLSA-N
Molecular Formula C18H28N4O6S
7

Alfa Aesar™ 4-Chlorobenzenesulfonamide, 98%

CAS: 98-64-6 Molecular Formula: C6H6ClNO2S Molecular Weight (g/mol): 191.63 MDL Number: MFCD00007936 InChI Key: HHHDJHHNEURCNV-UHFFFAOYSA-N Synonym: p-chlorobenzenesulfonamide,benzenesulfonamide, 4-chloro,p-chlorobenzenesulfamide,4-chlorophenylsulfonamide,p-chlorophenylsulfonamide,4-chlorobenzenesulphonamide,benzenesulfonamide, p-chloro,usaf ma-3,4-chlorobenzene-1-sulfonamide,4-chloro-benzenesulfonamide PubChem CID: 66824 IUPAC Name: 4-chlorobenzene-1-sulfonamide SMILES: NS(=O)(=O)C1=CC=C(Cl)C=C1

PubChem CID 66824
CAS 98-64-6
Molecular Weight (g/mol) 191.63
MDL Number MFCD00007936
SMILES NS(=O)(=O)C1=CC=C(Cl)C=C1
Synonym p-chlorobenzenesulfonamide,benzenesulfonamide, 4-chloro,p-chlorobenzenesulfamide,4-chlorophenylsulfonamide,p-chlorophenylsulfonamide,4-chlorobenzenesulphonamide,benzenesulfonamide, p-chloro,usaf ma-3,4-chlorobenzene-1-sulfonamide,4-chloro-benzenesulfonamide
IUPAC Name 4-chlorobenzene-1-sulfonamide
InChI Key HHHDJHHNEURCNV-UHFFFAOYSA-N
Molecular Formula C6H6ClNO2S
9

Thermo Scientific Alfa Aesar 4-(2-Aminoethyl)benzenesulfonamide, 99%, Thermo Scientific™

CAS: 35303-76-5 Molecular Formula: C8H12N2O2S Molecular Weight (g/mol): 200.256 MDL Number: MFCD00010301 InChI Key: FXNSVEQMUYPYJS-UHFFFAOYSA-N Synonym: 4-2-aminoethyl benzenesulfonamide,4-2-aminoethyl benzene sulfonamide,4-2-aminoethyl benzene-1-sulfonamide,4-2-amino-ethyl-benzenesulfonamide,benzenesulfonamide, 4-2-aminoethyl,4-2-aminoethyl benzenesulphonamide,chembl7087,4-aminoethylbenzenesulfonamide,2-4-sulfamoylphenyl ethylamine PubChem CID: 169682 IUPAC Name: 4-(2-aminoethyl)benzenesulfonamide SMILES: C1=CC(=CC=C1CCN)S(=O)(=O)N

PubChem CID 169682
CAS 35303-76-5
Molecular Weight (g/mol) 200.256
MDL Number MFCD00010301
SMILES C1=CC(=CC=C1CCN)S(=O)(=O)N
Synonym 4-2-aminoethyl benzenesulfonamide,4-2-aminoethyl benzene sulfonamide,4-2-aminoethyl benzene-1-sulfonamide,4-2-amino-ethyl-benzenesulfonamide,benzenesulfonamide, 4-2-aminoethyl,4-2-aminoethyl benzenesulphonamide,chembl7087,4-aminoethylbenzenesulfonamide,2-4-sulfamoylphenyl ethylamine
IUPAC Name 4-(2-aminoethyl)benzenesulfonamide
InChI Key FXNSVEQMUYPYJS-UHFFFAOYSA-N
Molecular Formula C8H12N2O2S