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

• ChemBase ID: 836180
• Molecular Formular: C17H16N4O4S
• Molecular Mass: 372.39834
• Monoisotopic Mass: 372.08922601
• SMILES: S(=O)(=O)(NCc1nc(on1)C)c1ccc(C(=O)Nc2ccccc2)cc1
• Canonical SMILES: Cc1onc(n1)CNS(=O)(=O)c1ccc(cc1)C(=O)Nc1ccccc1
• InChI: InChI=1S/C17H16N4O4S/c1-12-19-16(21-25-12)11-18-26(23,24)15-9-7-13(8-10-15)17(22)20-14-5-3-2-4-6-14/h2-10,18H,11H2,1H3,(H,20,22)
• InChIKey: YCGHJSQGMJYCDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]sulfamoyl}-N-phenylbenzamide
• IUPAC Traditional name: 4-{[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]sulfamoyl}-N-phenylbenzamide
• Synonyms: 4-({[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino}sulfonyl)-N-phenylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.770812
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.163549
• LogD (pH = 7.4): 2.1618843
• Log P: 2.1635704
• Molar Refractivity: 97.8262 cm^3
• Polarizability: 36.58979 Å^3
• Polar Surface Area: 114.19 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 1.52
• LOG S: -3.21
• Polar Surface Area: 114.19 Å^2
• Rotatable Bonds: 5