N-{[2-(2-methoxyphenoxy)pyridin-3-yl]methyl}methanesulfonamide

• ChemBase ID: 709141
• Molecular Formular: C14H16N2O4S
• Molecular Mass: 308.35284
• Monoisotopic Mass: 308.083078
• SMILES: S(=O)(=O)(NCc1c(Oc2c(OC)cccc2)nccc1)C
• Canonical SMILES: COc1ccccc1Oc1ncccc1CNS(=O)(=O)C
• InChI: InChI=1S/C14H16N2O4S/c1-19-12-7-3-4-8-13(12)20-14-11(6-5-9-15-14)10-16-21(2,17)18/h3-9,16H,10H2,1-2H3
• InChIKey: RLWKIFQEUNIRLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(2-methoxyphenoxy)pyridin-3-yl]methyl}methanesulfonamide
• IUPAC Traditional name: N-{[2-(2-methoxyphenoxy)pyridin-3-yl]methyl}methanesulfonamide
• Synonyms: N-{[2-(2-methoxyphenoxy)-3-pyridinyl]methyl}methanesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.227381
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1322374
• LogD (pH = 7.4): 1.1317279
• Log P: 1.1323007
• Molar Refractivity: 78.4368 cm^3
• Polarizability: 31.301947 Å^3
• Polar Surface Area: 77.52 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.98
• LOG S: -2.94
• Polar Surface Area: 77.52 Å^2
• Rotatable Bonds: 4