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;N-methyl-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide

C68H60ClF6N9O6S3 — CID 159099505

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;N-methyl-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1-c1ccc2nc(CCc3ccc(C(F)(F)F)cc3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(CCc3ccc(C(F)(F)F)cc3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(CCc3ccccc3Cl)[nH]c2c1
InChIInChI=1S/C24H22F3N3O2S.C23H20F3N3O2S.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;1-27-32(30,31)21-5-3-2-4-18(21)16-9-12-19-20(14-16)29-22(28-19)13-8-15-6-10-17(11-7-15)23(24,25)26;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);2-7,9-12,14,27H,8,13H2,1H3,(H,28,29);1-9,11,13H,10,12H2,(H,24,25)(H2,23,26,27)
InChIKeyKDCHFALLDIPTSD-UHFFFAOYSA-N
MW1344.93 g/mol
LogP14.54
Rot. Bonds17

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;N-methyl-2-[2-[2-[4-(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;N-methyl-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide (PubChem CID 159099505) has the molecular formula C68H60ClF6N9O6S3 and a molecular weight of 1344.93 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;N-methyl-2-[2-[2-[4-(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;N-methyl-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
PubChem CID159099505
Molecular FormulaC68H60ClF6N9O6S3
Molecular Weight1344.93 g/mol
Exact Mass1343.34
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;N-methyl-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1-c1ccc2nc(CCc3ccc(C(F)(F)F)cc3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(CCc3ccc(C(F)(F)F)cc3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(CCc3ccccc3Cl)[nH]c2c1
InChIInChI=1S/C24H22F3N3O2S.C23H20F3N3O2S.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;1-27-32(30,31)21-5-3-2-4-18(21)16-9-12-19-20(14-16)29-22(28-19)13-8-15-6-10-17(11-7-15)23(24,25)26;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);2-7,9-12,14,27H,8,13H2,1H3,(H,28,29);1-9,11,13H,10,12H2,(H,24,25)(H2,23,26,27)
InChIKeyKDCHFALLDIPTSD-UHFFFAOYSA-N
XLogP14.54
TPSA229.75 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001344.93
LogP ≤ 514.54
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;N-methyl-2-[2-[2-[4-(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;N-methyl-2-[2-[2-[4-(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;N-methyl-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide (CID 159099505) 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;N-methyl-2-[2-[2-[4-(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;N-methyl-2-[2-[2-[4-(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;N-methyl-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide is CN(C)S(=O)(=O)c1ccccc1-c1ccc2nc(CCc3ccc(C(F)(F)F)cc3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(CCc3ccc(C(F)(F)F)cc3)[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;N-methyl-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is KDCHFALLDIPTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2S.C23H20F3N3O2S.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;1-27-32(30,31)21-5-3-2-4-18(21)16-9-12-19-20(14-16)29-22(28-19)13-8-15-6-10-17(11-7-15)23(24,25)26;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);2-7,9-12,14,27H,8,13H2,1H3,(H,28,29);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;N-methyl-2-[2-[2-[4-(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;N-methyl-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 1344.93 g/mol, XLogP of 14.54, 17 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;N-methyl-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 159099505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).