(PHENYLSULFONYL)ACETAMIDE

The Acetamide, 2-(phenylsulfonyl)-, with the CAS registry number of 35008-50-5, is also known as (Phenylsulphonyl)acetamide and (Phenylsulfonyl)acetamide. This chemical's molecular formula is C₈H₉NO₃S and molecular weight is 199.23. What's more, its IUPAC name is 2-(Benzenesulfonyl)acetamide. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should avoid contact with light, ignition source. Besides, ensure the work place is well-ventilated.

Physical properties about Acetamide, 2-(phenylsulfonyl)- are: (1)ACD/LogP: -0.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.48; (4)ACD/LogD (pH 7.4): -0.48; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.04; (8)ACD/KOC (pH 7.4): 13.04; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 62.83 Å²; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 48.56 cm³; (15)Molar Volume: 148.5 cm³; (16)Polarizability: 19.25×10^-24 cm³; (17)Surface Tension: 51.7 dyne/cm; (18)Density: 1.341 g/cm³; (19)Flash Point: 242.6 °C; (20)Enthalpy of Vaporization: 74.15 kJ/mol; (21)Boiling Point: 477.5 °C at 760 mmHg; (22)Vapour Pressure: 2.78E-09 mmHg at 25 °C; (23)Melting Point: 152-153 °C.

Preparation: this chemical is prepared by reaction of 2-Chloro-acetamide with Benzenesulfinic acid sodium salt. The reaction needs catalyst Aliquat 336. The reaction time is 3 hours with reaction temperature of 120 °C. The yield is about 73 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 2-Amino-5-benzenesulfonyl-3H-pyrimidin-4-one at heating. This reaction needs reagents Sodium and dry Isopropyl alcohol. The reaction time is 2 days. The yield is about 78 %.

When you are using this chemical, please be cautious about it as the following:
The dust of this chemical can not be breathed. And you should avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(c1ccccc1)CC(=O)N
(2) InChI: InChI=1/C8H9NO3S/c9-8(10)6-13(11,12)7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)
(3) InChIKey: LKYNWTGTRVZBPA-UHFFFAOYAW