2-[2-[(E)-2-(3-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-chloro-2-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide

C67H55BrCl2FN9O8S4 — CID 159207273

IUPAC2-[2-[(E)-2-(3-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-chloro-2-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(Cl)cc3F)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(Cl)cc3S(C)(=O)=O)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cccc(Br)c3)[nH]c2c1
InChIInChI=1S/C23H20ClN3O4S2.C22H18BrN3O2S.C22H17ClFN3O2S/c1-25-33(30,31)21-6-4-3-5-18(21)16-8-11-19-20(13-16)27-23(26-19)12-9-15-7-10-17(24)14-22(15)32(2,28)29;1-24-29(27,28)21-8-3-2-7-18(21)16-10-11-19-20(14-16)26-22(25-19)12-9-15-5-4-6-17(23)13-15;1-25-30(28,29)21-5-3-2-4-17(21)15-7-10-19-20(12-15)27-22(26-19)11-8-14-6-9-16(23)13-18(14)24/h3-14,25H,1-2H3,(H,26,27);2-14,24H,1H3,(H,25,26);2-13,25H,1H3,(H,26,27)/b2*12-9+;11-8+
InChIKeyKQAQNTBSVJUZIQ-UIYPWSQHSA-N
MW1412.31 g/mol
LogP14.54
Rot. Bonds16

About 2-[2-[(E)-2-(3-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-chloro-2-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide

2-[2-[(E)-2-(3-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-chloro-2-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide (PubChem CID 159207273) has the molecular formula C67H55BrCl2FN9O8S4 and a molecular weight of 1412.31 g/mol. Its IUPAC name is 2-[2-[(E)-2-(3-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-chloro-2-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[2-[(E)-2-(3-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-chloro-2-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
PubChem CID159207273
Molecular FormulaC67H55BrCl2FN9O8S4
Molecular Weight1412.31 g/mol
Exact Mass1409.16
IUPAC Name2-[2-[(E)-2-(3-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-chloro-2-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(Cl)cc3F)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(Cl)cc3S(C)(=O)=O)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cccc(Br)c3)[nH]c2c1
InChIInChI=1S/C23H20ClN3O4S2.C22H18BrN3O2S.C22H17ClFN3O2S/c1-25-33(30,31)21-6-4-3-5-18(21)16-8-11-19-20(13-16)27-23(26-19)12-9-15-7-10-17(24)14-22(15)32(2,28)29;1-24-29(27,28)21-8-3-2-7-18(21)16-10-11-19-20(14-16)26-22(25-19)12-9-15-5-4-6-17(23)13-15;1-25-30(28,29)21-5-3-2-4-17(21)15-7-10-19-20(12-15)27-22(26-19)11-8-14-6-9-16(23)13-18(14)24/h3-14,25H,1-2H3,(H,26,27);2-14,24H,1H3,(H,25,26);2-13,25H,1H3,(H,26,27)/b2*12-9+;11-8+
InChIKeyKQAQNTBSVJUZIQ-UIYPWSQHSA-N
XLogP14.54
TPSA258.69 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001412.31
LogP ≤ 514.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze 2-[2-[(E)-2-(3-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-chloro-2-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide with MolForge

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Related Compounds

2-[2-[(E)-2-(4-chloro-2-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 157136999
2-[2-[(E)-2-(3-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-(4-chloro-2-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[4-chloro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 157548857
2-[2-[(E)-2-(5-bromo-2-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-(3-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[4-chloro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 157644328
2-[2-[(E)-2-(4-chloro-2-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[5-methyl-2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 157905502
2-[2-[2-[2,5-bis(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(4-chloro-2-methylsulfonylphenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 158077918
2-[2-[2-(4-chloro-2-methylsulfonylphenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[5-methyl-2-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 158121534
2-[2-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(3-chloro-2-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-[5-methyl-2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 158240920
2-[2-[(E)-2-(3-chloro-4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(3-fluoro-5-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 158311159
2-[2-[(E)-2-(2,4-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[2-[3-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 158624120
2-[2-[2-(2-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N,N-dimethyl-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 158648426
2-[2-[(E)-2-(3-bromo-4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[3-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 158911500
2-[2-[2-(2-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N,N-dimethyl-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 159099505

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-(3-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-chloro-2-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[2-[(E)-2-(3-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-chloro-2-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide (CID 159207273) is 2-[2-[(E)-2-(3-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-chloro-2-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[2-[(E)-2-(3-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-chloro-2-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[2-[(E)-2-(3-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-chloro-2-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(Cl)cc3F)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(Cl)cc3S(C)(=O)=O)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cccc(Br)c3)[nH]c2c1.
What is the InChIKey of 2-[2-[(E)-2-(3-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-chloro-2-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide?
The InChIKey is KQAQNTBSVJUZIQ-UIYPWSQHSA-N. The full InChI is InChI=1S/C23H20ClN3O4S2.C22H18BrN3O2S.C22H17ClFN3O2S/c1-25-33(30,31)21-6-4-3-5-18(21)16-8-11-19-20(13-16)27-23(26-19)12-9-15-7-10-17(24)14-22(15)32(2,28)29;1-24-29(27,28)21-8-3-2-7-18(21)16-10-11-19-20(14-16)26-22(25-19)12-9-15-5-4-6-17(23)13-15;1-25-30(28,29)21-5-3-2-4-17(21)15-7-10-19-20(12-15)27-22(26-19)11-8-14-6-9-16(23)13-18(14)24/h3-14,25H,1-2H3,(H,26,27);2-14,24H,1H3,(H,25,26);2-13,25H,1H3,(H,26,27)/b2*12-9+;11-8+.
What are the key properties of 2-[2-[(E)-2-(3-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-chloro-2-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide?
2-[2-[(E)-2-(3-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-chloro-2-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide has a molecular weight of 1412.31 g/mol, XLogP of 14.54, 16 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-(3-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-chloro-2-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 159207273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).