N-{[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl}-4-sulfamoylbenzamide

• ChemBase ID: 385641
• Molecular Formular: C13H16N4O5S
• Molecular Mass: 340.35494
• Monoisotopic Mass: 340.08414063
• SMILES: S(=O)(=O)(c1ccc(C(=O)NCc2nc(on2)CCOC)cc1)N
• Canonical SMILES: COCCc1onc(n1)CNC(=O)c1ccc(cc1)S(=O)(=O)N
• InChI: InChI=1S/C13H16N4O5S/c1-21-7-6-12-16-11(17-22-12)8-15-13(18)9-2-4-10(5-3-9)23(14,19)20/h2-5H,6-8H2,1H3,(H,15,18)(H2,14,19,20)
• InChIKey: VZSKQKMMPKKKRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl}-4-sulfamoylbenzamide
• IUPAC Traditional name: N-{[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl}-4-sulfamoylbenzamide
• Synonyms: 4-(aminosulfonyl)-N-{[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.948525
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -0.15730277
• LogD (pH = 7.4): -0.15840925
• Log P: -0.15728858
• Molar Refractivity: 82.5239 cm^3
• Polarizability: 31.326965 Å^3
• Polar Surface Area: 137.41 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 2
• Log P: -0.82
• LOG S: -2.29
• Polar Surface Area: 137.41 Å^2
• Rotatable Bonds: 7