4-[4-(azetidine-1-carbonyl)phenoxy]-N,N-dimethylpiperidine-1-sulfonamide

• ChemBase ID: 636938
• Molecular Formular: C17H25N3O4S
• Molecular Mass: 367.4631
• Monoisotopic Mass: 367.1565773
• SMILES: S(=O)(=O)(N1CCC(CC1)Oc1ccc(C(=O)N2CCC2)cc1)N(C)C
• Canonical SMILES: CN(S(=O)(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)N1CCC1)C
• InChI: InChI=1S/C17H25N3O4S/c1-18(2)25(22,23)20-12-8-16(9-13-20)24-15-6-4-14(5-7-15)17(21)19-10-3-11-19/h4-7,16H,3,8-13H2,1-2H3
• InChIKey: CPGVDUJDJAQKES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(azetidine-1-carbonyl)phenoxy]-N,N-dimethylpiperidine-1-sulfonamide
• IUPAC Traditional name: 4-[4-(azetidine-1-carbonyl)phenoxy]-N,N-dimethylpiperidine-1-sulfonamide
• Synonyms: 4-[4-(azetidin-1-ylcarbonyl)phenoxy]-N,N-dimethylpiperidine-1-sulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.25796267
• LogD (pH = 7.4): -0.25796124
• Log P: -0.2579612
• Molar Refractivity: 96.1808 cm^3
• Polarizability: 37.67848 Å^3
• Polar Surface Area: 70.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.55
• LOG S: -2.72
• Polar Surface Area: 70.16 Å^2
• Rotatable Bonds: 3