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

C68H60ClF6N9O8S4 — CID 158121534

IUPAC2-[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
SMILESCS(=O)(=O)c1cc(Cl)ccc1CCc1nc2ccc(-c3ccccc3S(N)(=O)=O)cc2[nH]1.Cc1cc(CCc2nc3ccc(-c4ccccc4S(N)(=O)=O)cc3[nH]2)cc(C(F)(F)F)c1.Cc1ccc(C(F)(F)F)c(CCc2nc3ccc(-c4ccccc4S(N)(=O)=O)cc3[nH]2)c1
InChIInChI=1S/2C23H20F3N3O2S.C22H20ClN3O4S2/c1-14-6-9-18(23(24,25)26)16(12-14)8-11-22-28-19-10-7-15(13-20(19)29-22)17-4-2-3-5-21(17)32(27,30)31;1-14-10-15(12-17(11-14)23(24,25)26)6-9-22-28-19-8-7-16(13-20(19)29-22)18-4-2-3-5-21(18)32(27,30)31;1-31(27,28)21-13-16(23)9-6-14(21)8-11-22-25-18-10-7-15(12-19(18)26-22)17-4-2-3-5-20(17)32(24,29)30/h2-7,9-10,12-13H,8,11H2,1H3,(H,28,29)(H2,27,30,31);2-5,7-8,10-13H,6,9H2,1H3,(H,28,29)(H2,27,30,31);2-7,9-10,12-13H,8,11H2,1H3,(H,25,26)(H2,24,29,30)
InChIKeyFRQVRZIFALYFMI-UHFFFAOYSA-N
MW1408.99 g/mol
LogP13.70
Rot. Bonds16

About 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

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 (PubChem CID 158121534) has the molecular formula C68H60ClF6N9O8S4 and a molecular weight of 1408.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID158121534
Molecular FormulaC68H60ClF6N9O8S4
Molecular Weight1408.99 g/mol
Exact Mass1407.30
IUPAC Name2-[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
SMILESCS(=O)(=O)c1cc(Cl)ccc1CCc1nc2ccc(-c3ccccc3S(N)(=O)=O)cc2[nH]1.Cc1cc(CCc2nc3ccc(-c4ccccc4S(N)(=O)=O)cc3[nH]2)cc(C(F)(F)F)c1.Cc1ccc(C(F)(F)F)c(CCc2nc3ccc(-c4ccccc4S(N)(=O)=O)cc3[nH]2)c1
InChIInChI=1S/2C23H20F3N3O2S.C22H20ClN3O4S2/c1-14-6-9-18(23(24,25)26)16(12-14)8-11-22-28-19-10-7-15(13-20(19)29-22)17-4-2-3-5-21(17)32(27,30)31;1-14-10-15(12-17(11-14)23(24,25)26)6-9-22-28-19-8-7-16(13-20(19)29-22)18-4-2-3-5-21(18)32(27,30)31;1-31(27,28)21-13-16(23)9-6-14(21)8-11-22-25-18-10-7-15(12-19(18)26-22)17-4-2-3-5-20(17)32(24,29)30/h2-7,9-10,12-13H,8,11H2,1H3,(H,28,29)(H2,27,30,31);2-5,7-8,10-13H,6,9H2,1H3,(H,28,29)(H2,27,30,31);2-7,9-10,12-13H,8,11H2,1H3,(H,25,26)(H2,24,29,30)
InChIKeyFRQVRZIFALYFMI-UHFFFAOYSA-N
XLogP13.70
TPSA300.66 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms96
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001408.99
LogP ≤ 513.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Related Compounds

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-[(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
5-methyl-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;4-(trifluoromethyl)-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;4-(trifluoromethyl)-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 123921898
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-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;1-[2-[2-[2-(4-methylsulfonylphenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]ethanone
CID 157346210
2-[2-[2-[4-(trifluoromethylsulfonylamino)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[4-[2-[6-[2-(trifluoromethylsulfonylamino)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide
CID 157398535
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-(3-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[(E)-2-(3-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;1-[2-[2-[(E)-2-(3-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone
CID 157726692
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CS(=O)(=O)c1cc(Cl)ccc1CCc1nc2ccc(-c3ccccc3S(N)(=O)=O)cc2[nH]1.Cc1cc(CCc2nc3ccc(-c4ccccc4S(N)(=O)=O)cc3[nH]2)cc(C(F)(F)F)c1.Cc1ccc(C(F)(F)F)c(CCc2nc3ccc(-c4ccccc4S(N)(=O)=O)cc3[nH]2)c1.
What is the InChIKey of 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?
The InChIKey is FRQVRZIFALYFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H20F3N3O2S.C22H20ClN3O4S2/c1-14-6-9-18(23(24,25)26)16(12-14)8-11-22-28-19-10-7-15(13-20(19)29-22)17-4-2-3-5-21(17)32(27,30)31;1-14-10-15(12-17(11-14)23(24,25)26)6-9-22-28-19-8-7-16(13-20(19)29-22)18-4-2-3-5-21(18)32(27,30)31;1-31(27,28)21-13-16(23)9-6-14(21)8-11-22-25-18-10-7-15(12-19(18)26-22)17-4-2-3-5-20(17)32(24,29)30/h2-7,9-10,12-13H,8,11H2,1H3,(H,28,29)(H2,27,30,31);2-5,7-8,10-13H,6,9H2,1H3,(H,28,29)(H2,27,30,31);2-7,9-10,12-13H,8,11H2,1H3,(H,25,26)(H2,24,29,30).
What are the key properties of 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?
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 has a molecular weight of 1408.99 g/mol, XLogP of 13.70, 16 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158121534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).