N-cyclopentyl-3-{methyl[(1-methyl-1H-pyrazol-4-yl)methyl]sulfamoyl}benzamide

• ChemBase ID: 618640
• Molecular Formular: C18H24N4O3S
• Molecular Mass: 376.47316
• Monoisotopic Mass: 376.15691165
• SMILES: S(=O)(=O)(N(Cc1cn(nc1)C)C)c1cc(C(=O)NC2CCCC2)ccc1
• Canonical SMILES: Cn1ncc(c1)CN(S(=O)(=O)c1cccc(c1)C(=O)NC1CCCC1)C
• InChI: InChI=1S/C18H24N4O3S/c1-21-12-14(11-19-21)13-22(2)26(24,25)17-9-5-6-15(10-17)18(23)20-16-7-3-4-8-16/h5-6,9-12,16H,3-4,7-8,13H2,1-2H3,(H,20,23)
• InChIKey: HXTFGDVPQHIRJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-3-{methyl[(1-methyl-1H-pyrazol-4-yl)methyl]sulfamoyl}benzamide
• IUPAC Traditional name: N-cyclopentyl-3-{methyl[(1-methylpyrazol-4-yl)methyl]sulfamoyl}benzamide
• Synonyms: N-cyclopentyl-3-({methyl[(1-methyl-1H-pyrazol-4-yl)methyl]amino}sulfonyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.113314
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6079007
• LogD (pH = 7.4): 1.607979
• Log P: 1.6079801
• Molar Refractivity: 111.9136 cm^3
• Polarizability: 38.79023 Å^3
• Polar Surface Area: 84.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.72
• LOG S: -3.41
• Polar Surface Area: 84.3 Å^2
• Rotatable Bonds: 5