N-{2-[1-(2,4-dichlorobenzenesulfonyl)piperidin-2-yl]ethyl}acetamide

• ChemBase ID: 436744
• Molecular Formular: C15H20Cl2N2O3S
• Molecular Mass: 379.3019
• Monoisotopic Mass: 378.05716887
• SMILES: S(=O)(=O)(c1c(cc(cc1)Cl)Cl)N1C(CCNC(=O)C)CCCC1
• Canonical SMILES: CC(=O)NCCC1CCCCN1S(=O)(=O)c1ccc(cc1Cl)Cl
• InChI: InChI=1S/C15H20Cl2N2O3S/c1-11(20)18-8-7-13-4-2-3-9-19(13)23(21,22)15-6-5-12(16)10-14(15)17/h5-6,10,13H,2-4,7-9H2,1H3,(H,18,20)
• InChIKey: KTTGIGQHWHVMEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[1-(2,4-dichlorobenzenesulfonyl)piperidin-2-yl]ethyl}acetamide
• IUPAC Traditional name: N-{2-[1-(2,4-dichlorobenzenesulfonyl)piperidin-2-yl]ethyl}acetamide
• Synonyms: N-(2-{1-[(2,4-dichlorophenyl)sulfonyl]-2-piperidinyl}ethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.179675
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.2266738
• LogD (pH = 7.4): 2.2266738
• Log P: 2.2266738
• Molar Refractivity: 91.6901 cm^3
• Polarizability: 36.542168 Å^3
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.64
• LOG S: -4.22
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 4