N-(4-Methylphenyl)sulfonylacetamide

This chemical is called N-(4-Methylphenyl)sulfonylacetamide, and it can also be named as N-tosylacetamide. With the CAS registry number 1888-33-1, its molecular formula is C₉H₁₁NO₃S. In addition, the molecular weight of this chemical is 213.25.

Other characteristics of the N-(4-Methylphenyl)sulfonylacetamide can be summarised as followings: (1)ACD/LogP: 0.54; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 12.27; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 62.83 Ų; (11)Index of Refraction: 1.538; (12)Molar Refractivity: 53.21 cm³; (13)Molar Volume: 169.9 cm³; (14)Polarizability: 21.09×10^-24cm³; (15)Surface Tension: 42.9 dyne/cm; (16)Density: 1.254 g/cm³.

Preparation of this chemical: The acetyl-(toluene-4-sulfonyl)-amine can be obtained by the reactants of toluene-4-sulfonamide and acetyl chloride. This reaction needs the reagent of AlCl_3.

  

Uses of this chemical: The 2-bromo-1-phenyl-ethanone can reacts with acetyl-(toluene-4-sulfonyl)-amine, and obtained the product of N-acetyl-4-methyl-N-(2-oxo-2-phenyl-ethyl)-benzenesulfonamide. This reaction needs the reagent of Et₃N and the solvent of acetone. In addition, time for this reaction is 24 hours, and other conditon is heating. However, the yield is 73 %.

   

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(cc1)C)NC(=O)C
(2)InChI: InChI=1/C9H11NO3S/c1-7-3-5-9(6-4-7)14(12,13)10-8(2)11/h3-6H,1-2H3,(H,10,11)
(3)InChIKey: BVJCFOOIOSGZFW-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C9H11NO3S/c1-7-3-5-9(6-4-7)14(12,13)10-8(2)11/h3-6H,1-2H3,(H,10,11)
(5)Std. InChIKey: BVJCFOOIOSGZFW-UHFFFAOYSA-N