N-(2-fluorophenyl)-3-[(oxolan-3-ylmethyl)sulfamoyl]benzamide

• ChemBase ID: 693549
• Molecular Formular: C18H19FN2O4S
• Molecular Mass: 378.4178632
• Monoisotopic Mass: 378.10495632
• SMILES: S(=O)(=O)(c1cc(C(=O)Nc2c(F)cccc2)ccc1)NCC1COCC1
• Canonical SMILES: O=C(c1cccc(c1)S(=O)(=O)NCC1CCOC1)Nc1ccccc1F
• InChI: InChI=1S/C18H19FN2O4S/c19-16-6-1-2-7-17(16)21-18(22)14-4-3-5-15(10-14)26(23,24)20-11-13-8-9-25-12-13/h1-7,10,13,20H,8-9,11-12H2,(H,21,22)
• InChIKey: GDOWSQVPLWQLKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-fluorophenyl)-3-[(oxolan-3-ylmethyl)sulfamoyl]benzamide
• IUPAC Traditional name: N-(2-fluorophenyl)-3-[(oxolan-3-ylmethyl)sulfamoyl]benzamide
• Synonyms: N-(2-fluorophenyl)-3-{[(tetrahydrofuran-3-ylmethyl)amino]sulfonyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.842051
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.0562968
• LogD (pH = 7.4): 2.0549219
• Log P: 2.0563142
• Molar Refractivity: 97.4562 cm^3
• Polarizability: 37.118156 Å^3
• Polar Surface Area: 84.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.74
• LOG S: -3.44
• Polar Surface Area: 84.5 Å^2
• Rotatable Bonds: 5