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

C67H57Cl2F3N8O7S3 — CID 157346210

IUPAC2-[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
SMILESCC(=O)c1ccccc1-c1ccc2nc(CCc3ccc(S(C)(=O)=O)cc3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(CCc3ccc(Cl)cc3)[nH]c2c1.O=S(=O)(Nc1ccccc1-c1ccc2nc(CCc3ccc(Cl)cc3)[nH]c2c1)C(F)(F)F
InChIInChI=1S/C24H22N2O3S.C22H17ClF3N3O2S.C21H18ClN3O2S/c1-16(27)20-5-3-4-6-21(20)18-10-13-22-23(15-18)26-24(25-22)14-9-17-7-11-19(12-8-17)30(2,28)29;23-16-9-5-14(6-10-16)7-12-21-27-19-11-8-15(13-20(19)28-21)17-3-1-2-4-18(17)29-32(30,31)22(24,25)26;22-16-9-5-14(6-10-16)7-12-21-24-18-11-8-15(13-19(18)25-21)17-3-1-2-4-20(17)28(23,26)27/h3-8,10-13,15H,9,14H2,1-2H3,(H,25,26);1-6,8-11,13,29H,7,12H2,(H,27,28);1-6,8-11,13H,7,12H2,(H,24,25)(H2,23,26,27)
InChIKeyBGZPSSNPNCDGOB-UHFFFAOYSA-N
MW1310.34 g/mol
LogP14.87
Rot. Bonds17

About 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

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 (PubChem CID 157346210) has the molecular formula C67H57Cl2F3N8O7S3 and a molecular weight of 1310.34 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID157346210
Molecular FormulaC67H57Cl2F3N8O7S3
Molecular Weight1310.34 g/mol
Exact Mass1308.28
IUPAC Name2-[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
SMILESCC(=O)c1ccccc1-c1ccc2nc(CCc3ccc(S(C)(=O)=O)cc3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(CCc3ccc(Cl)cc3)[nH]c2c1.O=S(=O)(Nc1ccccc1-c1ccc2nc(CCc3ccc(Cl)cc3)[nH]c2c1)C(F)(F)F
InChIInChI=1S/C24H22N2O3S.C22H17ClF3N3O2S.C21H18ClN3O2S/c1-16(27)20-5-3-4-6-21(20)18-10-13-22-23(15-18)26-24(25-22)14-9-17-7-11-19(12-8-17)30(2,28)29;23-16-9-5-14(6-10-16)7-12-21-27-19-11-8-15(13-20(19)28-21)17-3-1-2-4-18(17)29-32(30,31)22(24,25)26;22-16-9-5-14(6-10-16)7-12-21-24-18-11-8-15(13-19(18)25-21)17-3-1-2-4-20(17)28(23,26)27/h3-8,10-13,15H,9,14H2,1-2H3,(H,25,26);1-6,8-11,13,29H,7,12H2,(H,27,28);1-6,8-11,13H,7,12H2,(H,24,25)(H2,23,26,27)
InChIKeyBGZPSSNPNCDGOB-UHFFFAOYSA-N
XLogP14.87
TPSA243.58 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001310.34
LogP ≤ 514.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
N-[4-[2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethyl]phenyl]-1,1,1-trifluoromethanesulfonamide;2-[2-[2-[4-(methanesulfonamido)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[2-[4-(methanesulfonamido)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 157202595
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
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
N-[4-[2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethynyl]phenyl]methanesulfonamide;2-[2-[2-(3-methylphenyl)ethynyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[2-(3-methylphenyl)ethynyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 158153596
N-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;1-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone
CID 158629913
2-[2-[(E)-2-(4-acetylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]acetamide
CID 158908807
2-[2-[2-(4-chloro-2-methylsulfonylphenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[5-methyl-2-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 159140459
N-[4-[(E)-2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethenyl]phenyl]-1,1,1-trifluoromethanesulfonamide;2-[2-[(E)-2-[4-(methanesulfonamido)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[(E)-2-[4-(methanesulfonamido)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 159166084
2-[2-[(E)-2-(4-acetylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]acetamide
CID 159360689

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)c1ccccc1-c1ccc2nc(CCc3ccc(S(C)(=O)=O)cc3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(CCc3ccc(Cl)cc3)[nH]c2c1.O=S(=O)(Nc1ccccc1-c1ccc2nc(CCc3ccc(Cl)cc3)[nH]c2c1)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is BGZPSSNPNCDGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S.C22H17ClF3N3O2S.C21H18ClN3O2S/c1-16(27)20-5-3-4-6-21(20)18-10-13-22-23(15-18)26-24(25-22)14-9-17-7-11-19(12-8-17)30(2,28)29;23-16-9-5-14(6-10-16)7-12-21-27-19-11-8-15(13-20(19)28-21)17-3-1-2-4-18(17)29-32(30,31)22(24,25)26;22-16-9-5-14(6-10-16)7-12-21-24-18-11-8-15(13-19(18)25-21)17-3-1-2-4-20(17)28(23,26)27/h3-8,10-13,15H,9,14H2,1-2H3,(H,25,26);1-6,8-11,13,29H,7,12H2,(H,27,28);1-6,8-11,13H,7,12H2,(H,24,25)(H2,23,26,27).
What are the key properties of 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?
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 has a molecular weight of 1310.34 g/mol, XLogP of 14.87, 17 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157346210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).