N-benzyl-2-(3-methoxyphenyl)azetidine-1-sulfonamide

• ChemBase ID: 823615
• Molecular Formular: C17H20N2O3S
• Molecular Mass: 332.4173
• Monoisotopic Mass: 332.11946351
• SMILES: S(=O)(=O)(N1C(CC1)c1cc(OC)ccc1)NCc1ccccc1
• Canonical SMILES: COc1cccc(c1)C1CCN1S(=O)(=O)NCc1ccccc1
• InChI: InChI=1S/C17H20N2O3S/c1-22-16-9-5-8-15(12-16)17-10-11-19(17)23(20,21)18-13-14-6-3-2-4-7-14/h2-9,12,17-18H,10-11,13H2,1H3
• InChIKey: GMGJZRKLIALUMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2-(3-methoxyphenyl)azetidine-1-sulfonamide
• IUPAC Traditional name: N-benzyl-2-(3-methoxyphenyl)azetidine-1-sulfonamide
• Synonyms: N-benzyl-2-(3-methoxyphenyl)azetidine-1-sulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.800476
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9191992
• LogD (pH = 7.4): 1.9190482
• Log P: 1.9192011
• Molar Refractivity: 89.7867 cm^3
• Polarizability: 35.906467 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.83
• LOG S: -3.19
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 4