| Specification: |
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 Å2; (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 AlCl3.
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
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![(C9H11NO3S) Acetamide, N-[(4-methylphenyl)sulfonyl]-;N-Acetyl-4-methylbenzenesulfonamide;N-Acetyl-p-toluenesulfo...](https://img.guidechem.com/casimg/1888-33-1.gif)
