N-(6-methylpyridin-3-yl)-4-[(oxolan-3-yl)sulfamoyl]benzamide

• ChemBase ID: 537554
• Molecular Formular: C17H19N3O4S
• Molecular Mass: 361.41546
• Monoisotopic Mass: 361.1096271
• SMILES: S(=O)(=O)(NC1CCOC1)c1ccc(C(=O)Nc2cnc(cc2)C)cc1
• Canonical SMILES: Cc1ccc(cn1)NC(=O)c1ccc(cc1)S(=O)(=O)NC1COCC1
• InChI: InChI=1S/C17H19N3O4S/c1-12-2-5-14(10-18-12)19-17(21)13-3-6-16(7-4-13)25(22,23)20-15-8-9-24-11-15/h2-7,10,15,20H,8-9,11H2,1H3,(H,19,21)
• InChIKey: ZDFNMCHFCHNFOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-methylpyridin-3-yl)-4-[(oxolan-3-yl)sulfamoyl]benzamide
• IUPAC Traditional name: N-(6-methylpyridin-3-yl)-4-[(oxolan-3-yl)sulfamoyl]benzamide
• Synonyms: N-(6-methyl-3-pyridinyl)-4-[(tetrahydro-3-furanylamino)sulfonyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.776793
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.59823745
• LogD (pH = 7.4): 0.70653015
• Log P: 0.70976156
• Molar Refractivity: 94.6908 cm^3
• Polarizability: 36.453613 Å^3
• Polar Surface Area: 97.39 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.1
• LOG S: -2.77
• Polar Surface Area: 97.39 Å^2
• Rotatable Bonds: 4