2-[(2-chlorophenyl)methyl]-4-(morpholine-4-sulfonyl)morpholine

• ChemBase ID: 575449
• Molecular Formular: C15H21ClN2O4S
• Molecular Mass: 360.85624
• Monoisotopic Mass: 360.09105584
• SMILES: S(=O)(=O)(N1CC(Cc2c(Cl)cccc2)OCC1)N1CCOCC1
• Canonical SMILES: Clc1ccccc1CC1OCCN(C1)S(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C15H21ClN2O4S/c16-15-4-2-1-3-13(15)11-14-12-18(7-10-22-14)23(19,20)17-5-8-21-9-6-17/h1-4,14H,5-12H2
• InChIKey: KYIQNEYTCYDPMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-chlorophenyl)methyl]-4-(morpholine-4-sulfonyl)morpholine
• IUPAC Traditional name: 2-[(2-chlorophenyl)methyl]-4-(morpholine-4-sulfonyl)morpholine
• Synonyms: 2-(2-chlorobenzyl)-4-(4-morpholinylsulfonyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.1433455
• LogD (pH = 7.4): 1.1433455
• Log P: 1.1433455
• Molar Refractivity: 88.42 cm^3
• Polarizability: 35.615097 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.84
• LOG S: -3.07
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 2