N-cyclopentyl-3-{methyl[2-(1H-pyrazol-1-yl)ethyl]sulfamoyl}benzamide

• ChemBase ID: 748098
• Molecular Formular: C18H24N4O3S
• Molecular Mass: 376.47316
• Monoisotopic Mass: 376.15691165
• SMILES: S(=O)(=O)(c1cc(C(=O)NC2CCCC2)ccc1)N(CCn1nccc1)C
• Canonical SMILES: O=C(c1cccc(c1)S(=O)(=O)N(CCn1cccn1)C)NC1CCCC1
• InChI: InChI=1S/C18H24N4O3S/c1-21(12-13-22-11-5-10-19-22)26(24,25)17-9-4-6-15(14-17)18(23)20-16-7-2-3-8-16/h4-6,9-11,14,16H,2-3,7-8,12-13H2,1H3,(H,20,23)
• InChIKey: GRYQSTNNFMNIKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.113915
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6850952
• LogD (pH = 7.4): 1.6852261
• Log P: 1.6852279
• Molar Refractivity: 111.39 cm^3
• Polarizability: 38.871807 Å^3
• Polar Surface Area: 84.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.38
• LOG S: -3.98
• Polar Surface Area: 84.3 Å^2
• Rotatable Bonds: 6