N-[2-(hexanoylsulfamoyl)phenyl]-1-(3-methylbutyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;2-[[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]sulfamoyl]benzoic acid

C60H55F6N7O8S2 — CID 91272594

About N-[2-(hexanoylsulfamoyl)phenyl]-1-(3-methylbutyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;2-[[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]sulfamoyl]benzoic acid

N-[2-(hexanoylsulfamoyl)phenyl]-1-(3-methylbutyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;2-[[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]sulfamoyl]benzoic acid (PubChem CID 91272594) has the molecular formula C60H55F6N7O8S2 and a molecular weight of 1180.26 g/mol. Its IUPAC name is N-[2-(hexanoylsulfamoyl)phenyl]-1-(3-methylbutyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;2-[[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]sulfamoyl]benzoic acid.

Molecular Properties

• Compound Name: N-[2-(hexanoylsulfamoyl)phenyl]-1-(3-methylbutyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;2-[[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]sulfamoyl]benzoic acid
• PubChem CID: 91272594
• Molecular Formula: C60H55F6N7O8S2
• Molecular Weight: 1180.26 g/mol
• Exact Mass: 1179.35
• IUPAC Name: N-[2-(hexanoylsulfamoyl)phenyl]-1-(3-methylbutyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;2-[[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]sulfamoyl]benzoic acid
• SMILES: CCCCCC(=O)NS(=O)(=O)c1ccccc1NC(=O)c1ccc2c(c1)nc(-c1cc(C)cc(C(F)(F)F)c1)n2CCC(C)C.O=C(O)c1ccccc1S(=O)(=O)Nc1ccc2c(c1)nc(-c1ccccc1)n2-c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C33H37F3N4O4S.C27H18F3N3O4S/c1-5-6-7-12-30(41)39-45(43,44)29-11-9-8-10-26(29)38-32(42)23-13-14-28-27(20-23)37-31(40(28)16-15-21(2)3)24-17-22(4)18-25(19-24)33(34,35)36;28-27(29,30)18-10-13-20(14-11-18)33-23-15-12-19(16-22(23)31-25(33)17-6-2-1-3-7-17)32-38(36,37)24-9-5-4-8-21(24)26(34)35/h8-11,13-14,17-21H,5-7,12,15-16H2,1-4H3,(H,38,42)(H,39,41);1-16,32H,(H,34,35)
• InChIKey: FIBRXGSWKFIVOY-UHFFFAOYSA-N
• XLogP: 13.92
• TPSA: 211.45 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 18
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1180.26
LogP ≤ 5	13.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(hexanoylsulfamoyl)phenyl]-1-(3-methylbutyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;2-[[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]sulfamoyl]benzoic acid?

The IUPAC name of N-[2-(hexanoylsulfamoyl)phenyl]-1-(3-methylbutyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;2-[[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]sulfamoyl]benzoic acid (CID 91272594) is N-[2-(hexanoylsulfamoyl)phenyl]-1-(3-methylbutyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;2-[[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]sulfamoyl]benzoic acid.

What is the SMILES notation for N-[2-(hexanoylsulfamoyl)phenyl]-1-(3-methylbutyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;2-[[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]sulfamoyl]benzoic acid?

The canonical SMILES for N-[2-(hexanoylsulfamoyl)phenyl]-1-(3-methylbutyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;2-[[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]sulfamoyl]benzoic acid is CCCCCC(=O)NS(=O)(=O)c1ccccc1NC(=O)c1ccc2c(c1)nc(-c1cc(C)cc(C(F)(F)F)c1)n2CCC(C)C.O=C(O)c1ccccc1S(=O)(=O)Nc1ccc2c(c1)nc(-c1ccccc1)n2-c1ccc(C(F)(F)F)cc1.

What is the InChIKey of N-[2-(hexanoylsulfamoyl)phenyl]-1-(3-methylbutyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;2-[[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]sulfamoyl]benzoic acid?

The InChIKey is FIBRXGSWKFIVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37F3N4O4S.C27H18F3N3O4S/c1-5-6-7-12-30(41)39-45(43,44)29-11-9-8-10-26(29)38-32(42)23-13-14-28-27(20-23)37-31(40(28)16-15-21(2)3)24-17-22(4)18-25(19-24)33(34,35)36;28-27(29,30)18-10-13-20(14-11-18)33-23-15-12-19(16-22(23)31-25(33)17-6-2-1-3-7-17)32-38(36,37)24-9-5-4-8-21(24)26(34)35/h8-11,13-14,17-21H,5-7,12,15-16H2,1-4H3,(H,38,42)(H,39,41);1-16,32H,(H,34,35).

What are the key properties of N-[2-(hexanoylsulfamoyl)phenyl]-1-(3-methylbutyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;2-[[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]sulfamoyl]benzoic acid?

N-[2-(hexanoylsulfamoyl)phenyl]-1-(3-methylbutyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;2-[[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]sulfamoyl]benzoic acid has a molecular weight of 1180.26 g/mol, XLogP of 13.92, 18 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(hexanoylsulfamoyl)phenyl]-1-(3-methylbutyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;2-[[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]sulfamoyl]benzoic acid is sourced from PubChem (CID 91272594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).