4-[2-(4-chlorophenyl)morpholin-4-yl]-4-oxobutane-1-sulfonamide

• ChemBase ID: 556433
• Molecular Formular: C14H19ClN2O4S
• Molecular Mass: 346.82966
• Monoisotopic Mass: 346.07540578
• SMILES: S(=O)(=O)(N)CCCC(=O)N1CC(c2ccc(cc2)Cl)OCC1
• Canonical SMILES: Clc1ccc(cc1)C1OCCN(C1)C(=O)CCCS(=O)(=O)N
• InChI: InChI=1S/C14H19ClN2O4S/c15-12-5-3-11(4-6-12)13-10-17(7-8-21-13)14(18)2-1-9-22(16,19)20/h3-6,13H,1-2,7-10H2,(H2,16,19,20)
• InChIKey: ZNKAWLBZFSEFMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(4-chlorophenyl)morpholin-4-yl]-4-oxobutane-1-sulfonamide
• IUPAC Traditional name: 4-[2-(4-chlorophenyl)morpholin-4-yl]-4-oxobutane-1-sulfonamide
• Synonyms: 4-[2-(4-chlorophenyl)morpholin-4-yl]-4-oxobutane-1-sulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.700947
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.43079054
• LogD (pH = 7.4): 0.43077165
• Log P: 0.43079087
• Molar Refractivity: 83.5074 cm^3
• Polarizability: 33.51352 Å^3
• Polar Surface Area: 89.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.35
• LOG S: -2.88
• Polar Surface Area: 89.7 Å^2
• Rotatable Bonds: 5