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

• ChemBase ID: 577666
• Molecular Formular: C17H22N4O3S
• Molecular Mass: 362.44658
• Monoisotopic Mass: 362.14126158
• SMILES: S(=O)(=O)(c1ccc(C(=O)NC2CC2)cc1)NCCCc1cn(nc1)C
• Canonical SMILES: Cn1ncc(c1)CCCNS(=O)(=O)c1ccc(cc1)C(=O)NC1CC1
• InChI: InChI=1S/C17H22N4O3S/c1-21-12-13(11-18-21)3-2-10-19-25(23,24)16-8-4-14(5-9-16)17(22)20-15-6-7-15/h4-5,8-9,11-12,15,19H,2-3,6-7,10H2,1H3,(H,20,22)
• InChIKey: SVUOKKWGJBFQFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.898063
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.2282772
• LogD (pH = 7.4): 1.2271752
• Log P: 1.2283965
• Molar Refractivity: 107.1709 cm^3
• Polarizability: 36.959274 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: 1.01
• LOG S: -2.71
• Polar Surface Area: 93.09 Å^2
• Rotatable Bonds: 7