N-cyclobutyl-2-fluoro-5-sulfamoylbenzamide

• ChemBase ID: 411402
• Molecular Formular: C11H13FN2O3S
• Molecular Mass: 272.2959232
• Monoisotopic Mass: 272.06309151
• SMILES: S(=O)(=O)(c1cc(C(=O)NC2CCC2)c(cc1)F)N
• Canonical SMILES: O=C(c1cc(ccc1F)S(=O)(=O)N)NC1CCC1
• InChI: InChI=1S/C11H13FN2O3S/c12-10-5-4-8(18(13,16)17)6-9(10)11(15)14-7-2-1-3-7/h4-7H,1-3H2,(H,14,15)(H2,13,16,17)
• InChIKey: WJSHRXMBEUTABU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclobutyl-2-fluoro-5-sulfamoylbenzamide
• IUPAC Traditional name: N-cyclobutyl-2-fluoro-5-sulfamoylbenzamide
• Synonyms: 5-(aminosulfonyl)-N-cyclobutyl-2-fluorobenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.551512
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.7063939
• LogD (pH = 7.4): 0.7037242
• Log P: 0.7064281
• Molar Refractivity: 64.2196 cm^3
• Polarizability: 24.897669 Å^3
• Polar Surface Area: 89.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.46
• LOG S: -1.58
• Polar Surface Area: 89.26 Å^2
• Rotatable Bonds: 3