N,N-dimethyl-3-(4-phenoxybenzoyl)piperidine-1-sulfonamide

• ChemBase ID: 735951
• Molecular Formular: C20H24N2O4S
• Molecular Mass: 388.48056
• Monoisotopic Mass: 388.14567826
• SMILES: S(=O)(=O)(N1CC(C(=O)c2ccc(Oc3ccccc3)cc2)CCC1)N(C)C
• Canonical SMILES: O=C(c1ccc(cc1)Oc1ccccc1)C1CCCN(C1)S(=O)(=O)N(C)C
• InChI: InChI=1S/C20H24N2O4S/c1-21(2)27(24,25)22-14-6-7-17(15-22)20(23)16-10-12-19(13-11-16)26-18-8-4-3-5-9-18/h3-5,8-13,17H,6-7,14-15H2,1-2H3
• InChIKey: QAFFEQKOGGDPNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-3-(4-phenoxybenzoyl)piperidine-1-sulfonamide
• IUPAC Traditional name: N,N-dimethyl-3-(4-phenoxybenzoyl)piperidine-1-sulfonamide
• Synonyms: N,N-dimethyl-3-(4-phenoxybenzoyl)-1-piperidinesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.335648
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.3869433
• LogD (pH = 7.4): 2.3869448
• Log P: 2.3869448
• Molar Refractivity: 104.7142 cm^3
• Polarizability: 41.55068 Å^3
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 3.83
• LOG S: -4.53
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 4