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

• ChemBase ID: 361883
• Molecular Formular: C18H27N3O3S
• Molecular Mass: 365.49028
• Monoisotopic Mass: 365.17731274
• SMILES: S(=O)(=O)(N(CC1CN(CC1)CC)C)c1ccc(C(=O)NC2CC2)cc1
• Canonical SMILES: CCN1CCC(C1)CN(S(=O)(=O)c1ccc(cc1)C(=O)NC1CC1)C
• InChI: InChI=1S/C18H27N3O3S/c1-3-21-11-10-14(13-21)12-20(2)25(23,24)17-8-4-15(5-9-17)18(22)19-16-6-7-16/h4-5,8-9,14,16H,3,6-7,10-13H2,1-2H3,(H,19,22)
• InChIKey: XAHPYYLEGKBQSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-4-{[(1-ethylpyrrolidin-3-yl)methyl](methyl)sulfamoyl}benzamide
• IUPAC Traditional name: N-cyclopropyl-4-{[(1-ethylpyrrolidin-3-yl)methyl](methyl)sulfamoyl}benzamide
• Synonyms: N-cyclopropyl-4-{[[(1-ethyl-3-pyrrolidinyl)methyl](methyl)amino]sulfonyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.090269
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.8401197
• LogD (pH = 7.4): -0.08356093
• Log P: 1.0077125
• Molar Refractivity: 99.5135 cm^3
• Polarizability: 38.77378 Å^3
• Polar Surface Area: 69.72 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: 1.69
• LOG S: -3.31
• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 6