4-methoxy-3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]benzene-1-sulfonamide

• ChemBase ID: 740732
• Molecular Formular: C13H15N3O5S
• Molecular Mass: 325.3403
• Monoisotopic Mass: 325.0732416
• SMILES: n1c(c2cc(S(=O)(=O)N)ccc2OC)onc1C1COCC1
• Canonical SMILES: COc1ccc(cc1c1onc(n1)C1COCC1)S(=O)(=O)N
• InChI: InChI=1S/C13H15N3O5S/c1-19-11-3-2-9(22(14,17)18)6-10(11)13-15-12(16-21-13)8-4-5-20-7-8/h2-3,6,8H,4-5,7H2,1H3,(H2,14,17,18)
• InChIKey: IYSKTFDDJAJVMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]benzene-1-sulfonamide
• IUPAC Traditional name: 4-methoxy-3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
• Synonyms: 4-methoxy-3-[3-(tetrahydrofuran-3-yl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.224446
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.86121815
• LogD (pH = 7.4): 0.8606316
• Log P: 0.86122566
• Molar Refractivity: 89.0169 cm^3
• Polarizability: 30.895168 Å^3
• Polar Surface Area: 117.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 0.2
• LOG S: -1.74
• Polar Surface Area: 117.54 Å^2
• Rotatable Bonds: 4