N-(2-fluorophenyl)-3-[(oxan-4-yl)sulfamoyl]benzamide

• ChemBase ID: 649149
• Molecular Formular: C18H19FN2O4S
• Molecular Mass: 378.4178632
• Monoisotopic Mass: 378.10495632
• SMILES: S(=O)(=O)(NC1CCOCC1)c1cc(C(=O)Nc2c(F)cccc2)ccc1
• Canonical SMILES: O=C(c1cccc(c1)S(=O)(=O)NC1CCOCC1)Nc1ccccc1F
• InChI: InChI=1S/C18H19FN2O4S/c19-16-6-1-2-7-17(16)20-18(22)13-4-3-5-15(12-13)26(23,24)21-14-8-10-25-11-9-14/h1-7,12,14,21H,8-11H2,(H,20,22)
• InChIKey: BDKOEIQLAOXYGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-fluorophenyl)-3-[(oxan-4-yl)sulfamoyl]benzamide
• IUPAC Traditional name: N-(2-fluorophenyl)-3-[(oxan-4-yl)sulfamoyl]benzamide
• Synonyms: N-(2-fluorophenyl)-3-[(tetrahydro-2H-pyran-4-ylamino)sulfonyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.832763
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.9987075
• LogD (pH = 7.4): 1.9973031
• Log P: 1.9987255
• Molar Refractivity: 97.338 cm^3
• Polarizability: 37.11813 Å^3
• Polar Surface Area: 84.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.9
• LOG S: -3.58
• Polar Surface Area: 84.5 Å^2
• Rotatable Bonds: 4