N-cyclopropyl-4-{[1-(3-methyl-1H-pyrazol-5-yl)propan-2-yl]sulfamoyl}benzamide

• ChemBase ID: 575685
• Molecular Formular: C17H22N4O3S
• Molecular Mass: 362.44658
• Monoisotopic Mass: 362.14126158
• SMILES: S(=O)(=O)(NC(Cc1[nH]nc(c1)C)C)c1ccc(C(=O)NC2CC2)cc1
• Canonical SMILES: CC(NS(=O)(=O)c1ccc(cc1)C(=O)NC1CC1)Cc1[nH]nc(c1)C
• InChI: InChI=1S/C17H22N4O3S/c1-11-9-15(20-19-11)10-12(2)21-25(23,24)16-7-3-13(4-8-16)17(22)18-14-5-6-14/h3-4,7-9,12,14,21H,5-6,10H2,1-2H3,(H,18,22)(H,19,20)
• InChIKey: SJCZZXLURPSSMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-4-{[1-(3-methyl-1H-pyrazol-5-yl)propan-2-yl]sulfamoyl}benzamide
• IUPAC Traditional name: N-cyclopropyl-4-{[1-(5-methyl-2H-pyrazol-3-yl)propan-2-yl]sulfamoyl}benzamide
• Synonyms: N-cyclopropyl-4-({[1-methyl-2-(3-methyl-1H-pyrazol-5-yl)ethyl]amino}sulfonyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.887513
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.898056
• LogD (pH = 7.4): 0.89813006
• Log P: 0.8993967
• Molar Refractivity: 96.3521 cm^3
• Polarizability: 36.959953 Å^3
• Polar Surface Area: 103.95 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 1.53
• LOG S: -3.15
• Polar Surface Area: 103.95 Å^2
• Rotatable Bonds: 6