2-[2-[2-(2-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N,N-dimethyl-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide

C67H57ClF7N9O6S3 — CID 158648426

IUPAC2-[2-[2-(2-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N,N-dimethyl-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1-c1ccc2nc(CCc3ccc(C(F)(F)F)cc3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(CCc3ccc(F)cc3C(F)(F)F)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(CCc3ccccc3Cl)[nH]c2c1
InChIInChI=1S/C24H22F3N3O2S.C22H17F4N3O2S.C21H18ClN3O2S/c1-30(2)33(31,32)22-6-4-3-5-19(22)17-10-13-20-21(15-17)29-23(28-20)14-9-16-7-11-18(12-8-16)24(25,26)27;23-15-8-5-13(17(12-15)22(24,25)26)7-10-21-28-18-9-6-14(11-19(18)29-21)16-3-1-2-4-20(16)32(27,30)31;22-17-7-3-1-5-14(17)10-12-21-24-18-11-9-15(13-19(18)25-21)16-6-2-4-8-20(16)28(23,26)27/h3-8,10-13,15H,9,14H2,1-2H3,(H,28,29);1-6,8-9,11-12H,7,10H2,(H,28,29)(H2,27,30,31);1-9,11,13H,10,12H2,(H,24,25)(H2,23,26,27)
InChIKeyIBGJLJZGIIGYPP-UHFFFAOYSA-N
MW1348.89 g/mol
LogP14.42
Rot. Bonds16

About 2-[2-[2-(2-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N,N-dimethyl-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide

2-[2-[2-(2-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N,N-dimethyl-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide (PubChem CID 158648426) has the molecular formula C67H57ClF7N9O6S3 and a molecular weight of 1348.89 g/mol. Its IUPAC name is 2-[2-[2-(2-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N,N-dimethyl-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-[2-(2-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N,N-dimethyl-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
PubChem CID158648426
Molecular FormulaC67H57ClF7N9O6S3
Molecular Weight1348.89 g/mol
Exact Mass1347.32
IUPAC Name2-[2-[2-(2-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N,N-dimethyl-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1-c1ccc2nc(CCc3ccc(C(F)(F)F)cc3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(CCc3ccc(F)cc3C(F)(F)F)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(CCc3ccccc3Cl)[nH]c2c1
InChIInChI=1S/C24H22F3N3O2S.C22H17F4N3O2S.C21H18ClN3O2S/c1-30(2)33(31,32)22-6-4-3-5-19(22)17-10-13-20-21(15-17)29-23(28-20)14-9-16-7-11-18(12-8-16)24(25,26)27;23-15-8-5-13(17(12-15)22(24,25)26)7-10-21-28-18-9-6-14(11-19(18)29-21)16-3-1-2-4-20(16)32(27,30)31;22-17-7-3-1-5-14(17)10-12-21-24-18-11-9-15(13-19(18)25-21)16-6-2-4-8-20(16)28(23,26)27/h3-8,10-13,15H,9,14H2,1-2H3,(H,28,29);1-6,8-9,11-12H,7,10H2,(H,28,29)(H2,27,30,31);1-9,11,13H,10,12H2,(H,24,25)(H2,23,26,27)
InChIKeyIBGJLJZGIIGYPP-UHFFFAOYSA-N
XLogP14.42
TPSA243.74 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001348.89
LogP ≤ 514.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 2-[2-[2-(2-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N,N-dimethyl-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N,N-dimethyl-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of 2-[2-[2-(2-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N,N-dimethyl-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide (CID 158648426) is 2-[2-[2-(2-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N,N-dimethyl-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-[2-[2-(2-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N,N-dimethyl-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-[2-[2-(2-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N,N-dimethyl-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide is CN(C)S(=O)(=O)c1ccccc1-c1ccc2nc(CCc3ccc(C(F)(F)F)cc3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(CCc3ccc(F)cc3C(F)(F)F)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(CCc3ccccc3Cl)[nH]c2c1.
What is the InChIKey of 2-[2-[2-(2-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N,N-dimethyl-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is IBGJLJZGIIGYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2S.C22H17F4N3O2S.C21H18ClN3O2S/c1-30(2)33(31,32)22-6-4-3-5-19(22)17-10-13-20-21(15-17)29-23(28-20)14-9-16-7-11-18(12-8-16)24(25,26)27;23-15-8-5-13(17(12-15)22(24,25)26)7-10-21-28-18-9-6-14(11-19(18)29-21)16-3-1-2-4-20(16)32(27,30)31;22-17-7-3-1-5-14(17)10-12-21-24-18-11-9-15(13-19(18)25-21)16-6-2-4-8-20(16)28(23,26)27/h3-8,10-13,15H,9,14H2,1-2H3,(H,28,29);1-6,8-9,11-12H,7,10H2,(H,28,29)(H2,27,30,31);1-9,11,13H,10,12H2,(H,24,25)(H2,23,26,27).
What are the key properties of 2-[2-[2-(2-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N,N-dimethyl-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
2-[2-[2-(2-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N,N-dimethyl-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 1348.89 g/mol, XLogP of 14.42, 16 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N,N-dimethyl-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 158648426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).