2-fluoro-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-5-sulfamoylbenzamide

• ChemBase ID: 733926
• Molecular Formular: C17H14FN3O4S
• Molecular Mass: 375.3741632
• Monoisotopic Mass: 375.06890516
• SMILES: S(=O)(=O)(c1cc(C(=O)NCc2nc(oc2)c2ccccc2)c(cc1)F)N
• Canonical SMILES: O=C(c1cc(ccc1F)S(=O)(=O)N)NCc1coc(n1)c1ccccc1
• InChI: InChI=1S/C17H14FN3O4S/c18-15-7-6-13(26(19,23)24)8-14(15)16(22)20-9-12-10-25-17(21-12)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,20,22)(H2,19,23,24)
• InChIKey: VNEGBDGAJKZOBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-5-sulfamoylbenzamide
• IUPAC Traditional name: 2-fluoro-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-5-sulfamoylbenzamide
• Synonyms: 5-(aminosulfonyl)-2-fluoro-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.550663
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.5688664
• LogD (pH = 7.4): 1.5661924
• Log P: 1.5689015
• Molar Refractivity: 102.3088 cm^3
• Polarizability: 35.88389 Å^3
• Polar Surface Area: 115.29 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: 1.76
• LOG S: -3.44
• Polar Surface Area: 115.29 Å^2
• Rotatable Bonds: 5