N-{3-[2-(4-chlorophenyl)morpholin-4-yl]-3-oxopropyl}-N-methylmethanesulfonamide

• ChemBase ID: 833474
• Molecular Formular: C15H21ClN2O4S
• Molecular Mass: 360.85624
• Monoisotopic Mass: 360.09105584
• SMILES: S(=O)(=O)(N(CCC(=O)N1CC(c2ccc(cc2)Cl)OCC1)C)C
• Canonical SMILES: Clc1ccc(cc1)C1OCCN(C1)C(=O)CCN(S(=O)(=O)C)C
• InChI: InChI=1S/C15H21ClN2O4S/c1-17(23(2,20)21)8-7-15(19)18-9-10-22-14(11-18)12-3-5-13(16)6-4-12/h3-6,14H,7-11H2,1-2H3
• InChIKey: BBIPHCQOUCMJHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-[2-(4-chlorophenyl)morpholin-4-yl]-3-oxopropyl}-N-methylmethanesulfonamide
• IUPAC Traditional name: N-{3-[2-(4-chlorophenyl)morpholin-4-yl]-3-oxopropyl}-N-methylmethanesulfonamide
• Synonyms: N-{3-[2-(4-chlorophenyl)morpholin-4-yl]-3-oxopropyl}-N-methylmethanesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.43729255
• LogD (pH = 7.4): 0.43729258
• Log P: 0.43729258
• Molar Refractivity: 88.422 cm^3
• Polarizability: 35.34033 Å^3
• Polar Surface Area: 66.92 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: 2.25
• LOG S: -3.75
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 4