5-(2-methoxypyridin-3-yl)thiophene-2-sulfonamide

• ChemBase ID: 695132
• Molecular Formular: C10H10N2O3S2
• Molecular Mass: 270.328
• Monoisotopic Mass: 270.01328419
• SMILES: S(=O)(=O)(c1sc(c2c(nccc2)OC)cc1)N
• Canonical SMILES: COc1ncccc1c1ccc(s1)S(=O)(=O)N
• InChI: InChI=1S/C10H10N2O3S2/c1-15-10-7(3-2-6-12-10)8-4-5-9(16-8)17(11,13)14/h2-6H,1H3,(H2,11,13,14)
• InChIKey: HSCBKPHIUAQFSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-methoxypyridin-3-yl)thiophene-2-sulfonamide
• IUPAC Traditional name: 5-(2-methoxypyridin-3-yl)thiophene-2-sulfonamide
• Synonyms: 5-(2-methoxypyridin-3-yl)thiophene-2-sulfonamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 82.28 Å^2
• Rotatable Bonds: 3
• H Acceptors: 4
• H Donor: 1
• Log P: 0.89
• LOG S: -1.93

JChem

• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 8.799669
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3882171
• LogD (pH = 7.4): 1.3737571
• Log P: 1.3887599
• Molar Refractivity: 64.0217 cm^3
• Polarizability: 26.90308 Å^3
• Polar Surface Area: 82.28 Å^2