2-(2,4-dichlorophenoxy)-N-[2-(methylsulfamoyl)ethyl]acetamide

• ChemBase ID: 690844
• Molecular Formular: C11H14Cl2N2O4S
• Molecular Mass: 341.21086
• Monoisotopic Mass: 340.0051333
• SMILES: S(=O)(=O)(CCNC(=O)COc1c(cc(cc1)Cl)Cl)NC
• Canonical SMILES: CNS(=O)(=O)CCNC(=O)COc1ccc(cc1Cl)Cl
• InChI: InChI=1S/C11H14Cl2N2O4S/c1-14-20(17,18)5-4-15-11(16)7-19-10-3-2-8(12)6-9(10)13/h2-3,6,14H,4-5,7H2,1H3,(H,15,16)
• InChIKey: WEHSTEDDYTYJBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4-dichlorophenoxy)-N-[2-(methylsulfamoyl)ethyl]acetamide
• IUPAC Traditional name: 2-(2,4-dichlorophenoxy)-N-[2-(methylsulfamoyl)ethyl]acetamide
• Synonyms: 2-(2,4-dichlorophenoxy)-N-{2-[(methylamino)sulfonyl]ethyl}acetamide

CALCULATED PROPERTIES

JChem

• H Donor: 2
• LogD (pH = 5.5): 0.58747125
• LogD (pH = 7.4): 0.5874512
• Log P: 0.5874715
• Molar Refractivity: 76.0527 cm^3
• Polarizability: 30.711483 Å^3
• Polar Surface Area: 84.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 11.678659
• H Acceptors: 4

供应商提供(Chembridge)

• H Donor: 2
• Log P: 1.4
• LOG S: -2.88
• Polar Surface Area: 84.5 Å^2
• Rotatable Bonds: 6
• H Acceptors: 4