3-chloro-N,N-diethyl-4-[(1-methanesulfonylpiperidin-4-yl)oxy]benzamide

• ChemBase ID: 736404
• Molecular Formular: C17H25ClN2O4S
• Molecular Mass: 388.9094
• Monoisotopic Mass: 388.12235597
• SMILES: S(=O)(=O)(N1CCC(Oc2c(cc(C(=O)N(CC)CC)cc2)Cl)CC1)C
• Canonical SMILES: CCN(C(=O)c1ccc(c(c1)Cl)OC1CCN(CC1)S(=O)(=O)C)CC
• InChI: InChI=1S/C17H25ClN2O4S/c1-4-19(5-2)17(21)13-6-7-16(15(18)12-13)24-14-8-10-20(11-9-14)25(3,22)23/h6-7,12,14H,4-5,8-11H2,1-3H3
• InChIKey: OOUPUADVUFGJHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-N,N-diethyl-4-[(1-methanesulfonylpiperidin-4-yl)oxy]benzamide
• IUPAC Traditional name: 3-chloro-N,N-diethyl-4-[(1-methanesulfonylpiperidin-4-yl)oxy]benzamide
• Synonyms: 3-chloro-N,N-diethyl-4-{[1-(methylsulfonyl)piperidin-4-yl]oxy}benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1799667
• LogD (pH = 7.4): 1.1799668
• Log P: 1.1799668
• Molar Refractivity: 99.0183 cm^3
• Polarizability: 38.802094 Å^3
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.65
• LOG S: -4.3
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 5