N-(3-methylphenyl)-3-[(1,2-oxazol-3-ylmethyl)sulfamoyl]benzamide

• ChemBase ID: 583541
• Molecular Formular: C18H17N3O4S
• Molecular Mass: 371.41028
• Monoisotopic Mass: 371.09397704
• SMILES: S(=O)(=O)(NCc1nocc1)c1cc(C(=O)Nc2cc(ccc2)C)ccc1
• Canonical SMILES: Cc1cccc(c1)NC(=O)c1cccc(c1)S(=O)(=O)NCc1ccon1
• InChI: InChI=1S/C18H17N3O4S/c1-13-4-2-6-15(10-13)20-18(22)14-5-3-7-17(11-14)26(23,24)19-12-16-8-9-25-21-16/h2-11,19H,12H2,1H3,(H,20,22)
• InChIKey: YUXPVNCENJXVMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methylphenyl)-3-[(1,2-oxazol-3-ylmethyl)sulfamoyl]benzamide
• IUPAC Traditional name: N-(3-methylphenyl)-3-[(1,2-oxazol-3-ylmethyl)sulfamoyl]benzamide
• Synonyms: 3-{[(isoxazol-3-ylmethyl)amino]sulfonyl}-N-(3-methylphenyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.8438835
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.5787318
• LogD (pH = 7.4): 2.5773673
• Log P: 2.5787492
• Molar Refractivity: 99.2197 cm^3
• Polarizability: 37.42951 Å^3
• Polar Surface Area: 101.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.87
• LOG S: -3.5
• Polar Surface Area: 101.3 Å^2
• Rotatable Bonds: 5