3-(6-methoxynaphthalene-2-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide

• ChemBase ID: 460968
• Molecular Formular: C19H24N2O4S
• Molecular Mass: 376.46986
• Monoisotopic Mass: 376.14567826
• SMILES: S(=O)(=O)(N1CC(C(=O)c2cc3c(cc(cc3)OC)cc2)CCC1)N(C)C
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C(=O)C1CCCN(C1)S(=O)(=O)N(C)C
• InChI: InChI=1S/C19H24N2O4S/c1-20(2)26(23,24)21-10-4-5-17(13-21)19(22)16-7-6-15-12-18(25-3)9-8-14(15)11-16/h6-9,11-12,17H,4-5,10,13H2,1-3H3
• InChIKey: AWRIJRJNRKRHNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(6-methoxynaphthalene-2-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide
• IUPAC Traditional name: 3-(6-methoxynaphthalene-2-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide
• Synonyms: 3-(6-methoxy-2-naphthoyl)-N,N-dimethyl-1-piperidinesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.154198
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.7184616
• LogD (pH = 7.4): 1.718463
• Log P: 1.718463
• Molar Refractivity: 101.3868 cm^3
• Polarizability: 41.236595 Å^3
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 3.05
• LOG S: -4.37
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 2