N-cyclopentyl-3-{[2-(1H-imidazol-1-yl)propyl]sulfamoyl}benzamide

• ChemBase ID: 745623
• Molecular Formular: C18H24N4O3S
• Molecular Mass: 376.47316
• Monoisotopic Mass: 376.15691165
• SMILES: S(=O)(=O)(NCC(n1cncc1)C)c1cc(C(=O)NC2CCCC2)ccc1
• Canonical SMILES: O=C(c1cccc(c1)S(=O)(=O)NCC(n1cncc1)C)NC1CCCC1
• InChI: InChI=1S/C18H24N4O3S/c1-14(22-10-9-19-13-22)12-20-26(24,25)17-8-4-5-15(11-17)18(23)21-16-6-2-3-7-16/h4-5,8-11,13-14,16,20H,2-3,6-7,12H2,1H3,(H,21,23)
• InChIKey: GWNRXPFWGIHUIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-3-{[2-(1H-imidazol-1-yl)propyl]sulfamoyl}benzamide
• IUPAC Traditional name: N-cyclopentyl-3-{[2-(imidazol-1-yl)propyl]sulfamoyl}benzamide
• Synonyms: N-cyclopentyl-3-({[2-(1H-imidazol-1-yl)propyl]amino}sulfonyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.878459
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.0269778
• LogD (pH = 7.4): 1.490308
• Log P: 1.5554729
• Molar Refractivity: 99.8602 cm^3
• Polarizability: 38.877453 Å^3
• Polar Surface Area: 93.09 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.74
• LOG S: -3.43
• Polar Surface Area: 93.09 Å^2
• Rotatable Bonds: 6