2-(6-methoxynaphthalen-2-yl)-N,N-dimethylmorpholine-4-sulfonamide

• ChemBase ID: 500386
• Molecular Formular: C17H22N2O4S
• Molecular Mass: 350.43258
• Monoisotopic Mass: 350.13002819
• SMILES: S(=O)(=O)(N1CC(c2cc3c(cc(cc3)OC)cc2)OCC1)N(C)C
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C1OCCN(C1)S(=O)(=O)N(C)C
• InChI: InChI=1S/C17H22N2O4S/c1-18(2)24(20,21)19-8-9-23-17(12-19)15-5-4-14-11-16(22-3)7-6-13(14)10-15/h4-7,10-11,17H,8-9,12H2,1-3H3
• InChIKey: YPIIVYAKIQRWBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-methoxynaphthalen-2-yl)-N,N-dimethylmorpholine-4-sulfonamide
• IUPAC Traditional name: 2-(6-methoxynaphthalen-2-yl)-N,N-dimethylmorpholine-4-sulfonamide
• Synonyms: 2-(6-methoxy-2-naphthyl)-N,N-dimethylmorpholine-4-sulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.3009442
• LogD (pH = 7.4): 1.3009455
• Log P: 1.3009455
• Molar Refractivity: 92.6991 cm^3
• Polarizability: 38.185513 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: 4
• H Donor: 0
• Log P: 1.22
• LOG S: -2.8
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 2