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

C68H58F5N9O8S4 — CID 158624120

IUPAC2-[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
SMILESCNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(F)cc3F)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(S(C)(=O)=O)cc3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(CCc3cccc(C(F)(F)F)c3)[nH]c2c1
InChIInChI=1S/C23H20F3N3O2S.C23H21N3O4S2.C22H17F2N3O2S/c1-27-32(30,31)21-8-3-2-7-18(21)16-10-11-19-20(14-16)29-22(28-19)12-9-15-5-4-6-17(13-15)23(24,25)26;1-24-32(29,30)22-6-4-3-5-19(22)17-10-13-20-21(15-17)26-23(25-20)14-9-16-7-11-18(12-8-16)31(2,27)28;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/h2-8,10-11,13-14,27H,9,12H2,1H3,(H,28,29);3-15,24H,1-2H3,(H,25,26);2-13,25H,1H3,(H,26,27)/b;14-9+;11-8+
InChIKeyHYJKBRQYIDHNNR-LEFGKFBNSA-N
MW1352.52 g/mol
LogP13.24
Rot. Bonds17

About 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

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 (PubChem CID 158624120) has the molecular formula C68H58F5N9O8S4 and a molecular weight of 1352.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID158624120
Molecular FormulaC68H58F5N9O8S4
Molecular Weight1352.52 g/mol
Exact Mass1351.32
IUPAC Name2-[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
SMILESCNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(F)cc3F)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(S(C)(=O)=O)cc3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(CCc3cccc(C(F)(F)F)c3)[nH]c2c1
InChIInChI=1S/C23H20F3N3O2S.C23H21N3O4S2.C22H17F2N3O2S/c1-27-32(30,31)21-8-3-2-7-18(21)16-10-11-19-20(14-16)29-22(28-19)12-9-15-5-4-6-17(13-15)23(24,25)26;1-24-32(29,30)22-6-4-3-5-19(22)17-10-13-20-21(15-17)26-23(25-20)14-9-16-7-11-18(12-8-16)31(2,27)28;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/h2-8,10-11,13-14,27H,9,12H2,1H3,(H,28,29);3-15,24H,1-2H3,(H,25,26);2-13,25H,1H3,(H,26,27)/b;14-9+;11-8+
InChIKeyHYJKBRQYIDHNNR-LEFGKFBNSA-N
XLogP13.24
TPSA258.69 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001352.52
LogP ≤ 513.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Related Compounds

N-methyl-2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 59008053
N-methyl-2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 58381139
N-methyl-2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 67165114
2-[2-[2-(2,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 67166160
2-[2-[(E)-2-[2,5-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 59008046
2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 59007968
2-[2-[(E)-2-(4-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 158890542
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
2-[2-[2-(3-chloro-2-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 67165611
2-[2-[(E)-2-(3,4-dichlorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 59008105
N-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 24759589
N-[2-[2-[(E)-2-(3,4-dichlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;N-[2-[2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;N-[2-[2-[(E)-2-[3-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 161118441

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(F)cc3F)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(S(C)(=O)=O)cc3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(CCc3cccc(C(F)(F)F)c3)[nH]c2c1.
What is the InChIKey of 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?
The InChIKey is HYJKBRQYIDHNNR-LEFGKFBNSA-N. The full InChI is InChI=1S/C23H20F3N3O2S.C23H21N3O4S2.C22H17F2N3O2S/c1-27-32(30,31)21-8-3-2-7-18(21)16-10-11-19-20(14-16)29-22(28-19)12-9-15-5-4-6-17(13-15)23(24,25)26;1-24-32(29,30)22-6-4-3-5-19(22)17-10-13-20-21(15-17)26-23(25-20)14-9-16-7-11-18(12-8-16)31(2,27)28;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/h2-8,10-11,13-14,27H,9,12H2,1H3,(H,28,29);3-15,24H,1-2H3,(H,25,26);2-13,25H,1H3,(H,26,27)/b;14-9+;11-8+.
What are the key properties of 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?
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 has a molecular weight of 1352.52 g/mol, XLogP of 13.24, 17 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158624120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).