N-benzyl[(2,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)amino]sulfonamide

• ChemBase ID: 757283
• Molecular Formular: C14H17N3O3S
• Molecular Mass: 307.36808
• Monoisotopic Mass: 307.09906242
• SMILES: c1(c([nH]c(=O)cc1C)C)NS(=O)(=O)NCc1ccccc1
• Canonical SMILES: O=c1cc(C)c(c([nH]1)C)NS(=O)(=O)NCc1ccccc1
• InChI: InChI=1S/C14H17N3O3S/c1-10-8-13(18)16-11(2)14(10)17-21(19,20)15-9-12-6-4-3-5-7-12/h3-8,15,17H,9H2,1-2H3,(H,16,18)
• InChIKey: FNUDPYRWBNEMHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl[(2,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)amino]sulfonamide
• IUPAC Traditional name: N-benzyl[(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)amino]sulfonamide
• Synonyms: N-benzyl-N'-(2,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)sulfamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.112065
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.2320722
• LogD (pH = 7.4): 0.23133561
• Log P: 0.2320816
• Molar Refractivity: 83.025 cm^3
• Polarizability: 31.907976 Å^3
• Polar Surface Area: 87.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 1.35
• LOG S: -2.6
• Polar Surface Area: 91.06 Å^2
• Rotatable Bonds: 3