N-cyclopentyl-3-{[(5-methyl-1H-pyrazol-3-yl)methyl]sulfamoyl}benzamide

• ChemBase ID: 383978
• Molecular Formular: C17H22N4O3S
• Molecular Mass: 362.44658
• Monoisotopic Mass: 362.14126158
• SMILES: S(=O)(=O)(NCc1n[nH]c(c1)C)c1cc(C(=O)NC2CCCC2)ccc1
• Canonical SMILES: O=C(c1cccc(c1)S(=O)(=O)NCc1n[nH]c(c1)C)NC1CCCC1
• InChI: InChI=1S/C17H22N4O3S/c1-12-9-15(21-20-12)11-18-25(23,24)16-8-4-5-13(10-16)17(22)19-14-6-2-3-7-14/h4-5,8-10,14,18H,2-3,6-7,11H2,1H3,(H,19,22)(H,20,21)
• InChIKey: JJEPUCSLAUPAOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-3-{[(5-methyl-1H-pyrazol-3-yl)methyl]sulfamoyl}benzamide
• IUPAC Traditional name: N-cyclopentyl-3-{[(5-methyl-1H-pyrazol-3-yl)methyl]sulfamoyl}benzamide
• Synonyms: N-cyclopentyl-3-({[(5-methyl-1H-pyrazol-3-yl)methyl]amino}sulfonyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.864301
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.5414847
• LogD (pH = 7.4): 1.5403407
• Log P: 1.5416611
• Molar Refractivity: 96.4284 cm^3
• Polarizability: 36.95941 Å^3
• Polar Surface Area: 103.95 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 1.84
• LOG S: -3.41
• Polar Surface Area: 103.95 Å^2
• Rotatable Bonds: 5