2-[2-[(E)-2-(3,4-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[4-fluoro-2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide

C67H51F8N9O6S3 — CID 158905912

IUPAC2-[2-[(E)-2-(3,4-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[4-fluoro-2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cc(F)cc(F)c3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(F)c(F)c3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(F)cc3C(F)(F)F)[nH]c2c1
InChIInChI=1S/C23H17F4N3O2S.2C22H17F2N3O2S/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(24)13-18(14)23(25,26)27;1-25-30(28,29)21-5-3-2-4-16(21)15-8-10-19-20(13-15)27-22(26-19)11-7-14-6-9-17(23)18(24)12-14;1-25-30(28,29)21-5-3-2-4-18(21)15-7-8-19-20(12-15)27-22(26-19)9-6-14-10-16(23)13-17(24)11-14/h2-13,28H,1H3,(H,29,30);2*2-13,25H,1H3,(H,26,27)/b11-8+;11-7+;9-6+
InChIKeyJGARTEKPIKMCGF-GIZULUQGSA-N
MW1326.39 g/mol
LogP14.64
Rot. Bonds15

About 2-[2-[(E)-2-(3,4-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[4-fluoro-2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide

2-[2-[(E)-2-(3,4-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[4-fluoro-2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide (PubChem CID 158905912) has the molecular formula C67H51F8N9O6S3 and a molecular weight of 1326.39 g/mol. Its IUPAC name is 2-[2-[(E)-2-(3,4-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[4-fluoro-2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[2-[(E)-2-(3,4-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[4-fluoro-2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
PubChem CID158905912
Molecular FormulaC67H51F8N9O6S3
Molecular Weight1326.39 g/mol
Exact Mass1325.30
IUPAC Name2-[2-[(E)-2-(3,4-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[4-fluoro-2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cc(F)cc(F)c3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(F)c(F)c3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(F)cc3C(F)(F)F)[nH]c2c1
InChIInChI=1S/C23H17F4N3O2S.2C22H17F2N3O2S/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(24)13-18(14)23(25,26)27;1-25-30(28,29)21-5-3-2-4-16(21)15-8-10-19-20(13-15)27-22(26-19)11-7-14-6-9-17(23)18(24)12-14;1-25-30(28,29)21-5-3-2-4-18(21)15-7-8-19-20(12-15)27-22(26-19)9-6-14-10-16(23)13-17(24)11-14/h2-13,28H,1H3,(H,29,30);2*2-13,25H,1H3,(H,26,27)/b11-8+;11-7+;9-6+
InChIKeyJGARTEKPIKMCGF-GIZULUQGSA-N
XLogP14.64
TPSA224.55 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001326.39
LogP ≤ 514.64
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze 2-[2-[(E)-2-(3,4-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[4-fluoro-2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide with MolForge

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Related Compounds

6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
CID 9827020
6-[5-phenyl-2-[2-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
CID 10436869
1-Isopropylsulfonyl-2-amino-6-(2-(methyl)-5-(2,4-difluorophenyl)-imidazol-4-yl)-benzimidazole methanesulfonate
CID 17981639
2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 24758469
2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 53341467
2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 53341468
2-[2-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 59007841
2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 59007900
1-cyclopentylsulfonyl-6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]benzimidazol-2-amine;methanesulfonic acid
CID 11366072
N-benzyl-6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-N-methyl-1-propan-2-ylsulfonylbenzimidazol-2-amine
CID 44456218
6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-N-ethyl-1-propan-2-ylsulfonylbenzimidazol-2-amine
CID 44456257
N'-propan-2-yl-2-[4-[[4-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]phenyl]sulfonylamino]phenyl]-3H-benzimidazole-5-carboximidamide
CID 44583295

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-(3,4-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[4-fluoro-2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[2-[(E)-2-(3,4-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[4-fluoro-2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide (CID 158905912) is 2-[2-[(E)-2-(3,4-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[4-fluoro-2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[2-[(E)-2-(3,4-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[4-fluoro-2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[2-[(E)-2-(3,4-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[4-fluoro-2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cc(F)cc(F)c3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(F)c(F)c3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(F)cc3C(F)(F)F)[nH]c2c1.
What is the InChIKey of 2-[2-[(E)-2-(3,4-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[4-fluoro-2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide?
The InChIKey is JGARTEKPIKMCGF-GIZULUQGSA-N. The full InChI is InChI=1S/C23H17F4N3O2S.2C22H17F2N3O2S/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(24)13-18(14)23(25,26)27;1-25-30(28,29)21-5-3-2-4-16(21)15-8-10-19-20(13-15)27-22(26-19)11-7-14-6-9-17(23)18(24)12-14;1-25-30(28,29)21-5-3-2-4-18(21)15-7-8-19-20(12-15)27-22(26-19)9-6-14-10-16(23)13-17(24)11-14/h2-13,28H,1H3,(H,29,30);2*2-13,25H,1H3,(H,26,27)/b11-8+;11-7+;9-6+.
What are the key properties of 2-[2-[(E)-2-(3,4-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[4-fluoro-2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide?
2-[2-[(E)-2-(3,4-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[4-fluoro-2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide has a molecular weight of 1326.39 g/mol, XLogP of 14.64, 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-(3,4-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[4-fluoro-2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 158905912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).