4-[(1H-imidazol-2-ylmethyl)(methyl)sulfamoyl]-N-pentylbenzamide

• ChemBase ID: 316734
• Molecular Formular: C17H24N4O3S
• Molecular Mass: 364.46246
• Monoisotopic Mass: 364.15691165
• SMILES: S(=O)(=O)(N(Cc1ncc[nH]1)C)c1ccc(C(=O)NCCCCC)cc1
• Canonical SMILES: CCCCCNC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ncc[nH]1)C
• InChI: InChI=1S/C17H24N4O3S/c1-3-4-5-10-20-17(22)14-6-8-15(9-7-14)25(23,24)21(2)13-16-18-11-12-19-16/h6-9,11-12H,3-5,10,13H2,1-2H3,(H,18,19)(H,20,22)
• InChIKey: FJNWUYWCYUFYHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1H-imidazol-2-ylmethyl)(methyl)sulfamoyl]-N-pentylbenzamide
• IUPAC Traditional name: 4-[(1H-imidazol-2-ylmethyl)(methyl)sulfamoyl]-N-pentylbenzamide
• Synonyms: 4-{[(1H-imidazol-2-ylmethyl)(methyl)amino]sulfonyl}-N-pentylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.56868
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.9292582
• LogD (pH = 7.4): 1.5249691
• Log P: 1.5485823
• Molar Refractivity: 97.3534 cm^3
• Polarizability: 37.76107 Å^3
• Polar Surface Area: 95.16 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.45
• LOG S: -3.95
• Polar Surface Area: 95.16 Å^2
• Rotatable Bonds: 8