N-[5-(1H-imidazol-1-yl)pyridin-2-yl]methanesulfonamide

• ChemBase ID: 555735
• Molecular Formular: C9H10N4O2S
• Molecular Mass: 238.2663
• Monoisotopic Mass: 238.05244658
• SMILES: S(=O)(=O)(Nc1ncc(n2cncc2)cc1)C
• Canonical SMILES: CS(=O)(=O)Nc1ccc(cn1)n1ccnc1
• InChI: InChI=1S/C9H10N4O2S/c1-16(14,15)12-9-3-2-8(6-11-9)13-5-4-10-7-13/h2-7H,1H3,(H,11,12)
• InChIKey: ZKQMQYLGICUUMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[5-(1H-imidazol-1-yl)pyridin-2-yl]methanesulfonamide
• IUPAC Traditional name: N-[5-(imidazol-1-yl)pyridin-2-yl]methanesulfonamide
• Synonyms: N-[5-(1H-imidazol-1-yl)pyridin-2-yl]methanesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.559673
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.9869226
• LogD (pH = 7.4): -0.5721531
• Log P: -0.5136654
• Molar Refractivity: 68.8462 cm^3
• Polarizability: 23.697634 Å^3
• Polar Surface Area: 76.88 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.05
• LOG S: -2.21
• Polar Surface Area: 76.88 Å^2
• Rotatable Bonds: 2