2-fluoro-5-sulfamoyl-N-(thiolan-3-yl)benzamide

• ChemBase ID: 356349
• Molecular Formular: C11H13FN2O3S2
• Molecular Mass: 304.3609232
• Monoisotopic Mass: 304.03516251
• SMILES: S(=O)(=O)(c1cc(C(=O)NC2CCSC2)c(cc1)F)N
• Canonical SMILES: O=C(c1cc(ccc1F)S(=O)(=O)N)NC1CSCC1
• InChI: InChI=1S/C11H13FN2O3S2/c12-10-2-1-8(19(13,16)17)5-9(10)11(15)14-7-3-4-18-6-7/h1-2,5,7H,3-4,6H2,(H,14,15)(H2,13,16,17)
• InChIKey: PVYFCPONILHSQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-5-sulfamoyl-N-(thiolan-3-yl)benzamide
• IUPAC Traditional name: 2-fluoro-5-sulfamoyl-N-(thiolan-3-yl)benzamide
• Synonyms: 5-(aminosulfonyl)-2-fluoro-N-(tetrahydro-3-thienyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.551445
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.4330537
• LogD (pH = 7.4): 0.43038362
• Log P: 0.43308792
• Molar Refractivity: 72.1491 cm^3
• Polarizability: 27.959139 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: 0.21
• LOG S: -2.91
• Polar Surface Area: 89.26 Å^2
• Rotatable Bonds: 3