Benzenesulfonamide

Reported in EPA TSCA Inventory.

The Benzenesulfonamide, with the CAS registry number 98-10-2 and EINECS registry number 202-637-1, is a kind of white to off-white granular crystalline powder, and the molecular formula of this chemical is C₆H₇NO₂S. In addition, it belongs to the following product categories: Pharmaceutical Intermediates; Sulfonamide; Benzene derivatives; Organics; Organic Building Blocks; Sulfonamides/Sulfinamides; Sulfur Compounds.

The physical properties of Benzenesulfonamide are as following: (1)ACD/LogP: 0.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.33; (4)ACD/LogD (pH 7.4): 0.33; (5)ACD/BCF (pH 5.5): 1.04; (6)ACD/BCF (pH 7.4): 1.04; (7)ACD/KOC (pH 5.5): 35.83; (8)ACD/KOC (pH 7.4): 35.76; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.76 Å²; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 39.19 cm³; (15)Molar Volume: 118.3 cm³; (16)Polarizability: 15.53×10^-24cm³; (17)Surface Tension: 48.8 dyne/cm; (18)Density: 1.327 g/cm³; (19)Flash Point: 144.6 °C; (20)Enthalpy of Vaporization: 55.67 kJ/mol; (21)Boiling Point: 315.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000437 mmHg at 25°C.

Preparation and uses of Benzenesulfonamide: It can be prepared in an ammonification reaction from benzene sulfonyl chloride. And it is often used in organic synthesis and pharmaceuticals industry.

You should be cautious while dealing with this chemical. It is harmful if swallowed. Therefore, you had better wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(N)c1ccccc1
(2)InChI: InChI=1/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
(3)InChIKey: KHBQMWCZKVMBLN-UHFFFAOYAA

The toxicity data is as follows: