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

• ChemBase ID: 747059
• Molecular Formular: C17H22N4O3S
• Molecular Mass: 362.44658
• Monoisotopic Mass: 362.14126158
• SMILES: S(=O)(=O)(c1ccc(C(=O)NC2CCC2)cc1)NCCCn1nccc1
• Canonical SMILES: O=C(c1ccc(cc1)S(=O)(=O)NCCCn1cccn1)NC1CCC1
• InChI: InChI=1S/C17H22N4O3S/c22-17(20-15-4-1-5-15)14-6-8-16(9-7-14)25(23,24)19-11-3-13-21-12-2-10-18-21/h2,6-10,12,15,19H,1,3-5,11,13H2,(H,20,22)
• InChIKey: QAHTZWSSDHCOHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.897913
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.0767913
• LogD (pH = 7.4): 1.0757207
• Log P: 1.0769429
• Molar Refractivity: 106.7577 cm^3
• Polarizability: 37.038586 Å^3
• Polar Surface Area: 93.09 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.47
• LOG S: -3.1
• Polar Surface Area: 93.09 Å^2
• Rotatable Bonds: 7