N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-4-(propylsulfamoyl)benzamide

• ChemBase ID: 720955
• Molecular Formular: C15H21N3O5S
• Molecular Mass: 355.40934
• Monoisotopic Mass: 355.12019179
• SMILES: S(=O)(=O)(c1ccc(C(=O)NCCN2C(=O)OCC2)cc1)NCCC
• Canonical SMILES: CCCNS(=O)(=O)c1ccc(cc1)C(=O)NCCN1CCOC1=O
• InChI: InChI=1S/C15H21N3O5S/c1-2-7-17-24(21,22)13-5-3-12(4-6-13)14(19)16-8-9-18-10-11-23-15(18)20/h3-6,17H,2,7-11H2,1H3,(H,16,19)
• InChIKey: UHAOFRSAUFKNAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-4-(propylsulfamoyl)benzamide
• IUPAC Traditional name: N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-4-(propylsulfamoyl)benzamide
• Synonyms: N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-4-[(propylamino)sulfonyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.898863
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.44988894
• LogD (pH = 7.4): 0.44868663
• Log P: 0.4499044
• Molar Refractivity: 88.3052 cm^3
• Polarizability: 34.46448 Å^3
• Polar Surface Area: 104.81 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.83
• LOG S: -2.5
• Polar Surface Area: 104.81 Å^2
• Rotatable Bonds: 7