N-(2-fluoroethyl)-3-{[2-(2-methoxyethyl)piperidin-1-yl]sulfonyl}benzamide

• ChemBase ID: 674023
• Molecular Formular: C17H25FN2O4S
• Molecular Mass: 372.4548032
• Monoisotopic Mass: 372.15190651
• SMILES: S(=O)(=O)(N1C(CCOC)CCCC1)c1cc(C(=O)NCCF)ccc1
• Canonical SMILES: COCCC1CCCCN1S(=O)(=O)c1cccc(c1)C(=O)NCCF
• InChI: InChI=1S/C17H25FN2O4S/c1-24-12-8-15-6-2-3-11-20(15)25(22,23)16-7-4-5-14(13-16)17(21)19-10-9-18/h4-5,7,13,15H,2-3,6,8-12H2,1H3,(H,19,21)
• InChIKey: WMFOAKAKZVBSKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-fluoroethyl)-3-{[2-(2-methoxyethyl)piperidin-1-yl]sulfonyl}benzamide
• IUPAC Traditional name: N-(2-fluoroethyl)-3-[2-(2-methoxyethyl)piperidin-1-ylsulfonyl]benzamide
• Synonyms: N-(2-fluoroethyl)-3-{[2-(2-methoxyethyl)piperidin-1-yl]sulfonyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.975321
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2250521
• LogD (pH = 7.4): 1.2250521
• Log P: 1.2250522
• Molar Refractivity: 94.3057 cm^3
• Polarizability: 36.604992 Å^3
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.77
• LOG S: -3.43
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 7