2-fluoro-N-(oxan-4-yl)-5-sulfamoylbenzamide

• ChemBase ID: 790012
• Molecular Formular: C12H15FN2O4S
• Molecular Mass: 302.3219032
• Monoisotopic Mass: 302.07365619
• SMILES: S(=O)(=O)(c1cc(C(=O)NC2CCOCC2)c(cc1)F)N
• Canonical SMILES: O=C(c1cc(ccc1F)S(=O)(=O)N)NC1CCOCC1
• InChI: InChI=1S/C12H15FN2O4S/c13-11-2-1-9(20(14,17)18)7-10(11)12(16)15-8-3-5-19-6-4-8/h1-2,7-8H,3-6H2,(H,15,16)(H2,14,17,18)
• InChIKey: GBTUNSNYJFOJQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-N-(oxan-4-yl)-5-sulfamoylbenzamide
• IUPAC Traditional name: 2-fluoro-N-(oxan-4-yl)-5-sulfamoylbenzamide
• Synonyms: 5-(aminosulfonyl)-2-fluoro-N-(tetrahydro-2H-pyran-4-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.551501
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.24255323
• LogD (pH = 7.4): -0.24522297
• Log P: -0.24251902
• Molar Refractivity: 70.8829 cm^3
• Polarizability: 27.472635 Å^3
• Polar Surface Area: 98.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.31
• LOG S: -2.45
• Polar Surface Area: 98.49 Å^2
• Rotatable Bonds: 3