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

C68H54ClF6N9O6S3 — CID 158311159

IUPAC2-[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
SMILESCNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cc(C)cc(F)c3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(C(F)(F)F)cc3F)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(F)c(Cl)c3)[nH]c2c1
InChIInChI=1S/C23H17F4N3O2S.C23H20FN3O2S.C22H17ClFN3O2S/c1-28-33(31,32)21-5-3-2-4-17(21)15-7-10-19-20(12-15)30-22(29-19)11-8-14-6-9-16(13-18(14)24)23(25,26)27;1-15-11-16(13-18(24)12-15)7-10-23-26-20-9-8-17(14-21(20)27-23)19-5-3-4-6-22(19)30(28,29)25-2;1-25-30(28,29)21-5-3-2-4-16(21)15-8-10-19-20(13-15)27-22(26-19)11-7-14-6-9-18(24)17(23)12-14/h2-13,28H,1H3,(H,29,30);3-14,25H,1-2H3,(H,26,27);2-13,25H,1H3,(H,26,27)/b11-8+;10-7+;11-7+
InChIKeyGNRSPAXYUDHQDG-KXMMMARSSA-N
MW1338.88 g/mol
LogP15.32
Rot. Bonds15

About 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

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 (PubChem CID 158311159) has the molecular formula C68H54ClF6N9O6S3 and a molecular weight of 1338.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID158311159
Molecular FormulaC68H54ClF6N9O6S3
Molecular Weight1338.88 g/mol
Exact Mass1337.30
IUPAC Name2-[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
SMILESCNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cc(C)cc(F)c3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(C(F)(F)F)cc3F)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(F)c(Cl)c3)[nH]c2c1
InChIInChI=1S/C23H17F4N3O2S.C23H20FN3O2S.C22H17ClFN3O2S/c1-28-33(31,32)21-5-3-2-4-17(21)15-7-10-19-20(12-15)30-22(29-19)11-8-14-6-9-16(13-18(14)24)23(25,26)27;1-15-11-16(13-18(24)12-15)7-10-23-26-20-9-8-17(14-21(20)27-23)19-5-3-4-6-22(19)30(28,29)25-2;1-25-30(28,29)21-5-3-2-4-16(21)15-8-10-19-20(13-15)27-22(26-19)11-7-14-6-9-18(24)17(23)12-14/h2-13,28H,1H3,(H,29,30);3-14,25H,1-2H3,(H,26,27);2-13,25H,1H3,(H,26,27)/b11-8+;10-7+;11-7+
InChIKeyGNRSPAXYUDHQDG-KXMMMARSSA-N
XLogP15.32
TPSA224.55 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001338.88
LogP ≤ 515.32
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cc(C)cc(F)c3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(C(F)(F)F)cc3F)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(F)c(Cl)c3)[nH]c2c1.
What is the InChIKey of 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?
The InChIKey is GNRSPAXYUDHQDG-KXMMMARSSA-N. The full InChI is InChI=1S/C23H17F4N3O2S.C23H20FN3O2S.C22H17ClFN3O2S/c1-28-33(31,32)21-5-3-2-4-17(21)15-7-10-19-20(12-15)30-22(29-19)11-8-14-6-9-16(13-18(14)24)23(25,26)27;1-15-11-16(13-18(24)12-15)7-10-23-26-20-9-8-17(14-21(20)27-23)19-5-3-4-6-22(19)30(28,29)25-2;1-25-30(28,29)21-5-3-2-4-16(21)15-8-10-19-20(13-15)27-22(26-19)11-7-14-6-9-18(24)17(23)12-14/h2-13,28H,1H3,(H,29,30);3-14,25H,1-2H3,(H,26,27);2-13,25H,1H3,(H,26,27)/b11-8+;10-7+;11-7+.
What are the key properties of 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?
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 has a molecular weight of 1338.88 g/mol, XLogP of 15.32, 15 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158311159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).