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

• ChemBase ID: 625214
• Molecular Formular: C16H13FN4O4S
• Molecular Mass: 376.3622232
• Monoisotopic Mass: 376.06415414
• SMILES: S(=O)(=O)(c1cc(C(=O)NCc2oc(nn2)c2ccccc2)c(cc1)F)N
• Canonical SMILES: O=C(c1cc(ccc1F)S(=O)(=O)N)NCc1nnc(o1)c1ccccc1
• InChI: InChI=1S/C16H13FN4O4S/c17-13-7-6-11(26(18,23)24)8-12(13)15(22)19-9-14-20-21-16(25-14)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,22)(H2,18,23,24)
• InChIKey: IKXIYZSDINALDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.550108
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.6001101
• LogD (pH = 7.4): 0.5974318
• Log P: 0.60014445
• Molar Refractivity: 102.3742 cm^3
• Polarizability: 35.068817 Å^3
• Polar Surface Area: 128.18 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: 0.02
• LOG S: -3.27
• Polar Surface Area: 128.18 Å^2
• Rotatable Bonds: 5