N-cyclobutyl-3-[(3-hydroxyazetidin-1-yl)sulfonyl]benzamide

• ChemBase ID: 562380
• Molecular Formular: C14H18N2O4S
• Molecular Mass: 310.36872
• Monoisotopic Mass: 310.09872807
• SMILES: S(=O)(=O)(N1CC(C1)O)c1cc(C(=O)NC2CCC2)ccc1
• Canonical SMILES: OC1CN(C1)S(=O)(=O)c1cccc(c1)C(=O)NC1CCC1
• InChI: InChI=1S/C14H18N2O4S/c17-12-8-16(9-12)21(19,20)13-6-1-3-10(7-13)14(18)15-11-4-2-5-11/h1,3,6-7,11-12,17H,2,4-5,8-9H2,(H,15,18)
• InChIKey: NAMPWILKQYRNJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclobutyl-3-[(3-hydroxyazetidin-1-yl)sulfonyl]benzamide
• IUPAC Traditional name: N-cyclobutyl-3-(3-hydroxyazetidin-1-ylsulfonyl)benzamide
• Synonyms: N-cyclobutyl-3-[(3-hydroxyazetidin-1-yl)sulfonyl]benzamide

CALCULATED PROPERTIES

JChem

• H Donor: 2
• LogD (pH = 5.5): 0.20921823
• LogD (pH = 7.4): 0.2092183
• Log P: 0.2092184
• Molar Refractivity: 77.7901 cm^3
• Polarizability: 30.566084 Å^3
• Polar Surface Area: 86.71 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 14.011213
• H Acceptors: 4

供应商提供(Chembridge)

• H Donor: 2
• Log P: 0.36
• LOG S: -1.77
• Polar Surface Area: 86.71 Å^2
• Rotatable Bonds: 3
• H Acceptors: 4