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

• ChemBase ID: 585627
• Molecular Formular: C17H22N4O3S
• Molecular Mass: 362.44658
• Monoisotopic Mass: 362.14126158
• SMILES: S(=O)(=O)(N(CCc1cn(nc1)C)C)c1ccc(C(=O)NC2CC2)cc1
• Canonical SMILES: Cn1ncc(c1)CCN(S(=O)(=O)c1ccc(cc1)C(=O)NC1CC1)C
• InChI: InChI=1S/C17H22N4O3S/c1-20-12-13(11-18-20)9-10-21(2)25(23,24)16-7-3-14(4-8-16)17(22)19-15-5-6-15/h3-4,7-8,11-12,15H,5-6,9-10H2,1-2H3,(H,19,22)
• InChIKey: MFFBVIFLHMYIGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.090265
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.007402
• LogD (pH = 7.4): 1.0075027
• Log P: 1.007504
• Molar Refractivity: 107.4666 cm^3
• Polarizability: 36.958965 Å^3
• Polar Surface Area: 84.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.03
• LOG S: -2.72
• Polar Surface Area: 84.3 Å^2
• Rotatable Bonds: 6