2-[2-[(E)-2-(1H-indol-6-yl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;4-[(E)-2-[6-[2-(methylsulfamoyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]benzoic acid;N-[4-[(E)-2-[6-[2-(methylsulfamoyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]acetamide

C71H61N11O9S3 — CID 158383908

IUPAC2-[2-[(E)-2-(1H-indol-6-yl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;4-[(E)-2-[6-[2-(methylsulfamoyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]benzoic acid;N-[4-[(E)-2-[6-[2-(methylsulfamoyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]acetamide
SMILESCNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(C(=O)O)cc3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(NC(C)=O)cc3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc4cc[nH]c4c3)[nH]c2c1
InChIInChI=1S/C24H22N4O3S.C24H20N4O2S.C23H19N3O4S/c1-16(29)26-19-11-7-17(8-12-19)9-14-24-27-21-13-10-18(15-22(21)28-24)20-5-3-4-6-23(20)32(30,31)25-2;1-25-31(29,30)23-5-3-2-4-19(23)18-9-10-20-22(15-18)28-24(27-20)11-7-16-6-8-17-12-13-26-21(17)14-16;1-24-31(29,30)21-5-3-2-4-18(21)17-11-12-19-20(14-17)26-22(25-19)13-8-15-6-9-16(10-7-15)23(27)28/h3-15,25H,1-2H3,(H,26,29)(H,27,28);2-15,25-26H,1H3,(H,27,28);2-14,24H,1H3,(H,25,26)(H,27,28)/b14-9+;11-7+;13-8+
InChIKeyGWDDARPUGNYJPZ-DHFBXMSCSA-N
MW1308.54 g/mol
LogP13.06
Rot. Bonds17

About 2-[2-[(E)-2-(1H-indol-6-yl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;4-[(E)-2-[6-[2-(methylsulfamoyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]benzoic acid;N-[4-[(E)-2-[6-[2-(methylsulfamoyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]acetamide

2-[2-[(E)-2-(1H-indol-6-yl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;4-[(E)-2-[6-[2-(methylsulfamoyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]benzoic acid;N-[4-[(E)-2-[6-[2-(methylsulfamoyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]acetamide (PubChem CID 158383908) has the molecular formula C71H61N11O9S3 and a molecular weight of 1308.54 g/mol. Its IUPAC name is 2-[2-[(E)-2-(1H-indol-6-yl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;4-[(E)-2-[6-[2-(methylsulfamoyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]benzoic acid;N-[4-[(E)-2-[6-[2-(methylsulfamoyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[(E)-2-(1H-indol-6-yl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;4-[(E)-2-[6-[2-(methylsulfamoyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]benzoic acid;N-[4-[(E)-2-[6-[2-(methylsulfamoyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]acetamide
PubChem CID158383908
Molecular FormulaC71H61N11O9S3
Molecular Weight1308.54 g/mol
Exact Mass1307.38
IUPAC Name2-[2-[(E)-2-(1H-indol-6-yl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;4-[(E)-2-[6-[2-(methylsulfamoyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]benzoic acid;N-[4-[(E)-2-[6-[2-(methylsulfamoyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]acetamide
SMILESCNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(C(=O)O)cc3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(NC(C)=O)cc3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc4cc[nH]c4c3)[nH]c2c1
InChIInChI=1S/C24H22N4O3S.C24H20N4O2S.C23H19N3O4S/c1-16(29)26-19-11-7-17(8-12-19)9-14-24-27-21-13-10-18(15-22(21)28-24)20-5-3-4-6-23(20)32(30,31)25-2;1-25-31(29,30)23-5-3-2-4-19(23)18-9-10-20-22(15-18)28-24(27-20)11-7-16-6-8-17-12-13-26-21(17)14-16;1-24-31(29,30)21-5-3-2-4-18(21)17-11-12-19-20(14-17)26-22(25-19)13-8-15-6-9-16(10-7-15)23(27)28/h3-15,25H,1-2H3,(H,26,29)(H,27,28);2-15,25-26H,1H3,(H,27,28);2-14,24H,1H3,(H,25,26)(H,27,28)/b14-9+;11-7+;13-8+
InChIKeyGWDDARPUGNYJPZ-DHFBXMSCSA-N
XLogP13.06
TPSA306.74 Ų
H-Bond Donors9
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001308.54
LogP ≤ 513.06
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1011

Analyze 2-[2-[(E)-2-(1H-indol-6-yl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;4-[(E)-2-[6-[2-(methylsulfamoyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]benzoic acid;N-[4-[(E)-2-[6-[2-(methylsulfamoyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]acetamide with MolForge

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Related Compounds

1-[4-[(E)-2-[6-[2-(2-hydroxypropan-2-yl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]ethanone;5-methyl-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;5-methyl-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 157425561
2-[2-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(1H-indol-6-yl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;4-[(E)-2-[6-[2-(methylsulfamoyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]benzoic acid
CID 157571744
1-[4-[(E)-2-[6-[2-(2-hydroxypropan-2-yl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]ethanone;5-methyl-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(E)-2-quinolin-6-ylethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
CID 161635844
1-[4-[(E)-2-[6-[2-(2-hydroxypropan-2-yl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]ethanone;5-(trifluoromethyl)-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;5-(trifluoromethyl)-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 161640545
4-[6-(1H-imidazol-5-ylsulfonylamino)-4-phenyl-9H-pyrido[2,3-b]indol-3-yl]benzoic acid
CID 58790959
4-[6-[2-[4-[[2-(dimethylamino)ethylamino]-hydroxymethyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[5-[[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]pentyl]benzamide
CID 138649512
15,24,33-Tris(indol-1-ylsulfonyl)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene-6-carboxylic acid
CID 142736791
bis(1H-benzimidazole);2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 156118732
4-[6-[2-(4-carboxyphenyl)-3H-benzimidazol-5-yl]-3H-indol-2-yl]benzoic acid;N-[2-[di(propan-2-yl)amino]ethyl]-4-[6-[2-[4-[2-[di(propan-2-yl)amino]ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide;N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 157266761
4-[2-[[(2S)-3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]-1,3-thiazol-4-yl]benzoic acid
CID 157697899
4-[6-[2-(4-carboxyphenyl)-3H-benzimidazol-5-yl]-3H-indol-2-yl]benzoic acid;N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]benzamide;N',N'-dimethylethane-1,2-diamine
CID 157907445
4-[6-[2-(4-carboxyphenyl)-3H-benzimidazol-5-yl]-3H-indol-2-yl]benzoic acid;2-pyrrolidin-1-ylethanamine;N-(2-pyrrolidin-1-ylethyl)-4-[6-[2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide
CID 157980552

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-(1H-indol-6-yl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;4-[(E)-2-[6-[2-(methylsulfamoyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]benzoic acid;N-[4-[(E)-2-[6-[2-(methylsulfamoyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]acetamide?
The IUPAC name of 2-[2-[(E)-2-(1H-indol-6-yl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;4-[(E)-2-[6-[2-(methylsulfamoyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]benzoic acid;N-[4-[(E)-2-[6-[2-(methylsulfamoyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]acetamide (CID 158383908) is 2-[2-[(E)-2-(1H-indol-6-yl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;4-[(E)-2-[6-[2-(methylsulfamoyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]benzoic acid;N-[4-[(E)-2-[6-[2-(methylsulfamoyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]acetamide.
What is the SMILES notation for 2-[2-[(E)-2-(1H-indol-6-yl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;4-[(E)-2-[6-[2-(methylsulfamoyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]benzoic acid;N-[4-[(E)-2-[6-[2-(methylsulfamoyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]acetamide?
The canonical SMILES for 2-[2-[(E)-2-(1H-indol-6-yl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;4-[(E)-2-[6-[2-(methylsulfamoyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]benzoic acid;N-[4-[(E)-2-[6-[2-(methylsulfamoyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]acetamide is CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(C(=O)O)cc3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(NC(C)=O)cc3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc4cc[nH]c4c3)[nH]c2c1.
What is the InChIKey of 2-[2-[(E)-2-(1H-indol-6-yl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;4-[(E)-2-[6-[2-(methylsulfamoyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]benzoic acid;N-[4-[(E)-2-[6-[2-(methylsulfamoyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]acetamide?
The InChIKey is GWDDARPUGNYJPZ-DHFBXMSCSA-N. The full InChI is InChI=1S/C24H22N4O3S.C24H20N4O2S.C23H19N3O4S/c1-16(29)26-19-11-7-17(8-12-19)9-14-24-27-21-13-10-18(15-22(21)28-24)20-5-3-4-6-23(20)32(30,31)25-2;1-25-31(29,30)23-5-3-2-4-19(23)18-9-10-20-22(15-18)28-24(27-20)11-7-16-6-8-17-12-13-26-21(17)14-16;1-24-31(29,30)21-5-3-2-4-18(21)17-11-12-19-20(14-17)26-22(25-19)13-8-15-6-9-16(10-7-15)23(27)28/h3-15,25H,1-2H3,(H,26,29)(H,27,28);2-15,25-26H,1H3,(H,27,28);2-14,24H,1H3,(H,25,26)(H,27,28)/b14-9+;11-7+;13-8+.
What are the key properties of 2-[2-[(E)-2-(1H-indol-6-yl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;4-[(E)-2-[6-[2-(methylsulfamoyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]benzoic acid;N-[4-[(E)-2-[6-[2-(methylsulfamoyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]acetamide?
2-[2-[(E)-2-(1H-indol-6-yl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;4-[(E)-2-[6-[2-(methylsulfamoyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]benzoic acid;N-[4-[(E)-2-[6-[2-(methylsulfamoyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]acetamide has a molecular weight of 1308.54 g/mol, XLogP of 13.06, 17 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-(1H-indol-6-yl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;4-[(E)-2-[6-[2-(methylsulfamoyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]benzoic acid;N-[4-[(E)-2-[6-[2-(methylsulfamoyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]acetamide is sourced from PubChem (CID 158383908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).