N-(2-fluoroethyl)-3-({1-oxaspiro[4.4]nonan-3-yl}sulfamoyl)benzamide

• ChemBase ID: 481266
• Molecular Formular: C17H23FN2O4S
• Molecular Mass: 370.4389232
• Monoisotopic Mass: 370.13625645
• SMILES: S(=O)(=O)(NC1CC2(OC1)CCCC2)c1cc(C(=O)NCCF)ccc1
• Canonical SMILES: FCCNC(=O)c1cccc(c1)S(=O)(=O)NC1COC2(C1)CCCC2
• InChI: InChI=1S/C17H23FN2O4S/c18-8-9-19-16(21)13-4-3-5-15(10-13)25(22,23)20-14-11-17(24-12-14)6-1-2-7-17/h3-5,10,14,20H,1-2,6-9,11-12H2,(H,19,21)
• InChIKey: LAPHLXDXKOHORY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-fluoroethyl)-3-({1-oxaspiro[4.4]nonan-3-yl}sulfamoyl)benzamide
• IUPAC Traditional name: N-(2-fluoroethyl)-3-({1-oxaspiro[4.4]nonan-3-yl}sulfamoyl)benzamide
• Synonyms: N-(2-fluoroethyl)-3-[(1-oxaspiro[4.4]non-3-ylamino)sulfonyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.866214
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.257939
• LogD (pH = 7.4): 1.256643
• Log P: 1.2579557
• Molar Refractivity: 91.6008 cm^3
• Polarizability: 35.895626 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: 1.64
• LOG S: -3.3
• Polar Surface Area: 84.5 Å^2
• Rotatable Bonds: 5