N-[5-(2-methoxypyridin-3-yl)pyridin-2-yl]methanesulfonamide

• ChemBase ID: 446110
• Molecular Formular: C12H13N3O3S
• Molecular Mass: 279.31492
• Monoisotopic Mass: 279.06776229
• SMILES: S(=O)(=O)(Nc1ncc(c2c(nccc2)OC)cc1)C
• Canonical SMILES: COc1ncccc1c1ccc(nc1)NS(=O)(=O)C
• InChI: InChI=1S/C12H13N3O3S/c1-18-12-10(4-3-7-13-12)9-5-6-11(14-8-9)15-19(2,16)17/h3-8H,1-2H3,(H,14,15)
• InChIKey: GBWPWUJPDYGJNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[5-(2-methoxypyridin-3-yl)pyridin-2-yl]methanesulfonamide
• IUPAC Traditional name: N-[5-(2-methoxypyridin-3-yl)pyridin-2-yl]methanesulfonamide
• Synonyms: N-(2'-methoxy-3,3'-bipyridin-6-yl)methanesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 7.5641613
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.5855834
• LogD (pH = 7.4): 0.39551482
• Log P: 0.5895093
• Molar Refractivity: 70.6538 cm^3
• Polarizability: 29.155825 Å^3
• Polar Surface Area: 81.18 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.59
• LOG S: -1.74
• Polar Surface Area: 81.18 Å^2
• Rotatable Bonds: 3