N,N-dimethyl-3-[3-(propan-2-yloxy)benzoyl]piperidine-1-sulfonamide

• ChemBase ID: 751230
• Molecular Formular: C17H26N2O4S
• Molecular Mass: 354.46434
• Monoisotopic Mass: 354.16132832
• SMILES: S(=O)(=O)(N1CC(C(=O)c2cc(OC(C)C)ccc2)CCC1)N(C)C
• Canonical SMILES: CC(Oc1cccc(c1)C(=O)C1CCCN(C1)S(=O)(=O)N(C)C)C
• InChI: InChI=1S/C17H26N2O4S/c1-13(2)23-16-9-5-7-14(11-16)17(20)15-8-6-10-19(12-15)24(21,22)18(3)4/h5,7,9,11,13,15H,6,8,10,12H2,1-4H3
• InChIKey: WOLQKSRUUMRHOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-3-[3-(propan-2-yloxy)benzoyl]piperidine-1-sulfonamide
• IUPAC Traditional name: 3-(3-isopropoxybenzoyl)-N,N-dimethylpiperidine-1-sulfonamide
• Synonyms: 3-(3-isopropoxybenzoyl)-N,N-dimethyl-1-piperidinesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.080147
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.5023679
• LogD (pH = 7.4): 1.5023692
• Log P: 1.5023692
• Molar Refractivity: 94.104 cm^3
• Polarizability: 37.43993 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: 2.79
• LOG S: -4.18
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 3