3-(azetidine-1-sulfonyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide

• ChemBase ID: 386101
• Molecular Formular: C17H24N2O4S
• Molecular Mass: 352.44846
• Monoisotopic Mass: 352.14567826
• SMILES: S(=O)(=O)(N1CCC1)c1cc(C(=O)N(CC2OCCCC2)C)ccc1
• Canonical SMILES: O=C(c1cccc(c1)S(=O)(=O)N1CCC1)N(CC1CCCCO1)C
• InChI: InChI=1S/C17H24N2O4S/c1-18(13-15-7-2-3-11-23-15)17(20)14-6-4-8-16(12-14)24(21,22)19-9-5-10-19/h4,6,8,12,15H,2-3,5,7,9-11,13H2,1H3
• InChIKey: BRSGQQLBARJRMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(azetidine-1-sulfonyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide
• IUPAC Traditional name: 3-(azetidine-1-sulfonyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide
• Synonyms: 3-(azetidin-1-ylsulfonyl)-N-methyl-N-(tetrahydro-2H-pyran-2-ylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0762135
• LogD (pH = 7.4): 1.0762136
• Log P: 1.0762136
• Molar Refractivity: 92.6332 cm^3
• Polarizability: 36.127342 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: 4
• H Donor: 0
• Log P: 0.41
• LOG S: -2.12
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 4