2-benzyl-4-(2-chlorobenzenesulfonyl)morpholine

• ChemBase ID: 821490
• Molecular Formular: C17H18ClNO3S
• Molecular Mass: 351.84772
• Monoisotopic Mass: 351.06959212
• SMILES: S(=O)(=O)(N1CC(OCC1)Cc1ccccc1)c1c(Cl)cccc1
• Canonical SMILES: Clc1ccccc1S(=O)(=O)N1CCOC(C1)Cc1ccccc1
• InChI: InChI=1S/C17H18ClNO3S/c18-16-8-4-5-9-17(16)23(20,21)19-10-11-22-15(13-19)12-14-6-2-1-3-7-14/h1-9,15H,10-13H2
• InChIKey: LXNIWCAGCALQPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzyl-4-(2-chlorobenzenesulfonyl)morpholine
• IUPAC Traditional name: 2-benzyl-4-(2-chlorobenzenesulfonyl)morpholine
• Synonyms: 2-benzyl-4-[(2-chlorophenyl)sulfonyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.4850743
• LogD (pH = 7.4): 3.4850743
• Log P: 3.4850743
• Molar Refractivity: 90.9264 cm^3
• Polarizability: 36.274975 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.78
• LOG S: -3.63
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 3