2-(4-chlorophenyl)-4-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]morpholine

• ChemBase ID: 490367
• Molecular Formular: C15H18ClN3O3S
• Molecular Mass: 355.83972
• Monoisotopic Mass: 355.07574013
• SMILES: c1(S(=O)(=O)N2CC(c3ccc(cc3)Cl)OCC2)nc(n(c1)C)C
• Canonical SMILES: Clc1ccc(cc1)C1OCCN(C1)S(=O)(=O)c1cn(c(n1)C)C
• InChI: InChI=1S/C15H18ClN3O3S/c1-11-17-15(10-18(11)2)23(20,21)19-7-8-22-14(9-19)12-3-5-13(16)6-4-12/h3-6,10,14H,7-9H2,1-2H3
• InChIKey: JSNCCWIQQYPUAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chlorophenyl)-4-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]morpholine
• IUPAC Traditional name: 2-(4-chlorophenyl)-4-(1,2-dimethylimidazol-4-ylsulfonyl)morpholine
• Synonyms: 2-(4-chlorophenyl)-4-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.0159905
• LogD (pH = 7.4): 2.0191016
• Log P: 2.0191414
• Molar Refractivity: 88.7771 cm^3
• Polarizability: 34.82144 Å^3
• Polar Surface Area: 64.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.43
• LOG S: -3.02
• Polar Surface Area: 64.43 Å^2
• Rotatable Bonds: 2