4-{2-[1-(2,5-difluorobenzenesulfonyl)piperidin-2-yl]ethyl}morpholine

• ChemBase ID: 841679
• Molecular Formular: C17H24F2N2O3S
• Molecular Mass: 374.4458664
• Monoisotopic Mass: 374.14757008
• SMILES: S(=O)(=O)(c1cc(ccc1F)F)N1C(CCN2CCOCC2)CCCC1
• Canonical SMILES: Fc1ccc(c(c1)S(=O)(=O)N1CCCCC1CCN1CCOCC1)F
• InChI: InChI=1S/C17H24F2N2O3S/c18-14-4-5-16(19)17(13-14)25(22,23)21-7-2-1-3-15(21)6-8-20-9-11-24-12-10-20/h4-5,13,15H,1-3,6-12H2
• InChIKey: XCPRTTYXMPCOGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-[1-(2,5-difluorobenzenesulfonyl)piperidin-2-yl]ethyl}morpholine
• IUPAC Traditional name: 4-{2-[1-(2,5-difluorobenzenesulfonyl)piperidin-2-yl]ethyl}morpholine
• Synonyms: 4-(2-{1-[(2,5-difluorophenyl)sulfonyl]-2-piperidinyl}ethyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1443046
• LogD (pH = 7.4): 2.0421512
• Log P: 2.0822697
• Molar Refractivity: 92.2133 cm^3
• Polarizability: 36.068848 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.44
• LOG S: -3.01
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 4