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

C68H54Cl2F5N9O6S3 — CID 158240920

IUPAC2-[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
SMILESCNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3c(F)cccc3Cl)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cc(C)ccc3C(F)(F)F)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cccc(Cl)c3F)[nH]c2c1
InChIInChI=1S/C24H20F3N3O2S.2C22H17ClFN3O2S/c1-15-7-10-19(24(25,26)27)17(13-15)9-12-23-29-20-11-8-16(14-21(20)30-23)18-5-3-4-6-22(18)33(31,32)28-2;1-25-30(28,29)20-8-3-2-6-16(20)15-9-11-18-19(13-15)27-21(26-18)12-10-14-5-4-7-17(23)22(14)24;1-25-30(28,29)21-8-3-2-5-15(21)14-9-11-19-20(13-14)27-22(26-19)12-10-16-17(23)6-4-7-18(16)24/h3-14,28H,1-2H3,(H,29,30);2*2-13,25H,1H3,(H,26,27)/b12-9+;2*12-10+
InChIKeyGFNKPNFKXSXETH-ANZJRFTNSA-N
MW1355.33 g/mol
LogP15.84
Rot. Bonds15

About 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

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 (PubChem CID 158240920) has the molecular formula C68H54Cl2F5N9O6S3 and a molecular weight of 1355.33 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID158240920
Molecular FormulaC68H54Cl2F5N9O6S3
Molecular Weight1355.33 g/mol
Exact Mass1353.27
IUPAC Name2-[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
SMILESCNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3c(F)cccc3Cl)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cc(C)ccc3C(F)(F)F)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cccc(Cl)c3F)[nH]c2c1
InChIInChI=1S/C24H20F3N3O2S.2C22H17ClFN3O2S/c1-15-7-10-19(24(25,26)27)17(13-15)9-12-23-29-20-11-8-16(14-21(20)30-23)18-5-3-4-6-22(18)33(31,32)28-2;1-25-30(28,29)20-8-3-2-6-16(20)15-9-11-18-19(13-15)27-21(26-18)12-10-14-5-4-7-17(23)22(14)24;1-25-30(28,29)21-8-3-2-5-15(21)14-9-11-19-20(13-14)27-22(26-19)12-10-16-17(23)6-4-7-18(16)24/h3-14,28H,1-2H3,(H,29,30);2*2-13,25H,1H3,(H,26,27)/b12-9+;2*12-10+
InChIKeyGFNKPNFKXSXETH-ANZJRFTNSA-N
XLogP15.84
TPSA224.55 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001355.33
LogP ≤ 515.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

6-[2-[2-chloro-6-(trifluoromethyl)phenyl]-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine;methanesulfonic acid
CID 44456293
2-[2-[2-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 53346190
2-[2-[(E)-2-(3-chloro-4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 59007898
2-[2-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 59008049
2-[2-[(E)-2-(3-chloro-2-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 59008058
2-[2-[2-(3-chloro-4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 67164973
2-[2-[2-(2-chloro-6-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 67165007
2-[2-[2-(3-chloro-2-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 67165611
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 123523292
2-[2-chloro-3-[2-chloro-3-[[2-(2,6-difluorophenyl)-3H-benzimidazol-5-yl]sulfonylamino]phenyl]-6-fluorophenyl]-N-(2-chlorophenyl)-3H-benzimidazole-5-sulfonamide
CID 123592317
2-[2-[(E)-2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 123610507
N-(2-chlorophenyl)-2-[4-[2-chloro-3-[[2-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]sulfonylamino]phenyl]-2-fluorophenyl]-3H-benzimidazole-5-sulfonamide
CID 123832606

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3c(F)cccc3Cl)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cc(C)ccc3C(F)(F)F)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cccc(Cl)c3F)[nH]c2c1.
What is the InChIKey of 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?
The InChIKey is GFNKPNFKXSXETH-ANZJRFTNSA-N. The full InChI is InChI=1S/C24H20F3N3O2S.2C22H17ClFN3O2S/c1-15-7-10-19(24(25,26)27)17(13-15)9-12-23-29-20-11-8-16(14-21(20)30-23)18-5-3-4-6-22(18)33(31,32)28-2;1-25-30(28,29)20-8-3-2-6-16(20)15-9-11-18-19(13-15)27-21(26-18)12-10-14-5-4-7-17(23)22(14)24;1-25-30(28,29)21-8-3-2-5-15(21)14-9-11-19-20(13-14)27-22(26-19)12-10-16-17(23)6-4-7-18(16)24/h3-14,28H,1-2H3,(H,29,30);2*2-13,25H,1H3,(H,26,27)/b12-9+;2*12-10+.
What are the key properties of 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?
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 has a molecular weight of 1355.33 g/mol, XLogP of 15.84, 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-(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 is sourced from PubChem (CID 158240920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).