N-methyl-N-[(3-methylpyridin-2-yl)methyl]-4-sulfamoylbenzamide

• ChemBase ID: 430210
• Molecular Formular: C15H17N3O3S
• Molecular Mass: 319.37878
• Monoisotopic Mass: 319.09906242
• SMILES: S(=O)(=O)(c1ccc(C(=O)N(Cc2ncccc2C)C)cc1)N
• Canonical SMILES: CN(C(=O)c1ccc(cc1)S(=O)(=O)N)Cc1ncccc1C
• InChI: InChI=1S/C15H17N3O3S/c1-11-4-3-9-17-14(11)10-18(2)15(19)12-5-7-13(8-6-12)22(16,20)21/h3-9H,10H2,1-2H3,(H2,16,20,21)
• InChIKey: OEWKQADLISVNOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(3-methylpyridin-2-yl)methyl]-4-sulfamoylbenzamide
• IUPAC Traditional name: N-methyl-N-[(3-methylpyridin-2-yl)methyl]-4-sulfamoylbenzamide
• Synonyms: 4-(aminosulfonyl)-N-methyl-N-[(3-methylpyridin-2-yl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.943154
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.9219042
• LogD (pH = 7.4): 0.9770924
• Log P: 0.97896296
• Molar Refractivity: 84.0624 cm^3
• Polarizability: 32.6024 Å^3
• Polar Surface Area: 93.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.26
• LOG S: -1.32
• Polar Surface Area: 93.36 Å^2
• Rotatable Bonds: 4