N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}-1-benzofuran-2-sulfonamide

• ChemBase ID: 492512
• Molecular Formular: C16H13N3O3S
• Molecular Mass: 327.35772
• Monoisotopic Mass: 327.06776229
• SMILES: S(=O)(=O)(c1oc2c(c1)cccc2)NCc1c2n(nc1)cccc2
• Canonical SMILES: O=S(=O)(c1cc2c(o1)cccc2)NCc1cnn2c1cccc2
• InChI: InChI=1S/C16H13N3O3S/c20-23(21,16-9-12-5-1-2-7-15(12)22-16)18-11-13-10-17-19-8-4-3-6-14(13)19/h1-10,18H,11H2
• InChIKey: WYXOPYKXZCDNLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}-1-benzofuran-2-sulfonamide
• IUPAC Traditional name: N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}-1-benzofuran-2-sulfonamide
• Synonyms: N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1-benzofuran-2-sulfonamide

CALCULATED PROPERTIES

JChem

• H Donor: 1
• LogD (pH = 5.5): 2.3043392
• LogD (pH = 7.4): 2.210514
• Log P: 2.3057773
• Molar Refractivity: 95.7395 cm^3
• Polarizability: 35.04333 Å^3
• Polar Surface Area: 76.61 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 7.9438434
• H Acceptors: 3

供应商提供(Chembridge)

• H Donor: 1
• Log P: 2.29
• LOG S: -4.65
• Polar Surface Area: 76.61 Å^2
• Rotatable Bonds: 3
• H Acceptors: 4