2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide

C67H58Cl3F3N8O5S2 — CID 159756757

IUPAC2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide
SMILESCC(C)(O)c1ccccc1-c1ccc2nc(CCc3ccc(Cl)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/C24H23ClN2O.C22H17ClF3N3O2S.C21H18ClN3O2S/c1-24(2,28)20-6-4-3-5-19(20)17-10-13-21-22(15-17)27-23(26-21)14-9-16-7-11-18(25)12-8-16;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/h3-8,10-13,15,28H,9,14H2,1-2H3,(H,26,27);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)
InChIKeyNEJBHDLWRUMVQT-UHFFFAOYSA-N
MW1282.74 g/mol
LogP16.14
Rot. Bonds16

About 2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide

2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 159756757) has the molecular formula C67H58Cl3F3N8O5S2 and a molecular weight of 1282.74 g/mol. Its IUPAC name is 2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound Name2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID159756757
Molecular FormulaC67H58Cl3F3N8O5S2
Molecular Weight1282.74 g/mol
Exact Mass1280.30
IUPAC Name2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide
SMILESCC(C)(O)c1ccccc1-c1ccc2nc(CCc3ccc(Cl)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/C24H23ClN2O.C22H17ClF3N3O2S.C21H18ClN3O2S/c1-24(2,28)20-6-4-3-5-19(20)17-10-13-21-22(15-17)27-23(26-21)14-9-16-7-11-18(25)12-8-16;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/h3-8,10-13,15,28H,9,14H2,1-2H3,(H,26,27);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)
InChIKeyNEJBHDLWRUMVQT-UHFFFAOYSA-N
XLogP16.14
TPSA212.60 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001282.74
LogP ≤ 516.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of 2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide (CID 159756757) is 2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for 2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for 2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide is CC(C)(O)c1ccccc1-c1ccc2nc(CCc3ccc(Cl)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;2-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is NEJBHDLWRUMVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O.C22H17ClF3N3O2S.C21H18ClN3O2S/c1-24(2,28)20-6-4-3-5-19(20)17-10-13-21-22(15-17)27-23(26-21)14-9-16-7-11-18(25)12-8-16;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/h3-8,10-13,15,28H,9,14H2,1-2H3,(H,26,27);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;2-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide?
2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 1282.74 g/mol, XLogP of 16.14, 16 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 159756757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).