4-Chloro-3-nitrobenzenesulfonamide

The IUPAC name of this chemical is 4-chloro-3-nitrobenzenesulfonamide. With the CAS registry number 97-09-6, it is also named as 3-Nitro-4-chlorobenzenesulfonamide. The product's categories are Intermediates of Dyes and Pigments; Benzene Derivates. It can separate out yellow prismatic crystal from ethanol.

The other characteristics of Benzenesulfonamide,4-chloro-3-nitro- can be summarized as: (1)ACD/LogP: 0.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.86; (4)ACD/LogD (pH 7.4): 0.85; (5)ACD/BCF (pH 5.5): 2.64; (6)ACD/BCF (pH 7.4): 2.6; (7)ACD/KOC (pH 5.5): 69.69; (8)ACD/KOC (pH 7.4): 68.79; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.621; (13)Molar Refractivity: 50.05 cm³; (14)Molar Volume: 142.1 cm³; (15)Polarizability: 19.84×10^-24 cm³; (16)Surface Tension: 67.2 dyne/cm; (17)Enthalpy of Vaporization: 68.29 kJ/mol; (18)Vapour Pressure: 1.58E-07 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 235.965855; (21)MonoIsotopic Mass: 235.965855; (22)Topological Polar Surface Area: 114; (23)Heavy Atom Count: 14; (24)Complexity: 320.

Preparation of Benzenesulfonamide,4-chloro-3-nitro-: Adding ammonia in ammoniated pot, and adding 2-chloronitrobenzene-4-sulfonyl chloride cake at 15-20 °C. Stirring 0.5h, heating to 35-38 °C and reacting 4h, then we can get the product.

Uses of Benzenesulfonamide,4-chloro-3-nitro-: It can be used as dye intermediate and also used as intermediate in organic synthesis. For example: it reacts with 1,5-diphenyl-thiocarbazone to get 4-Phenyl-2-(phenylazo)-4H-1,3,4-benzothiadiazine-7-sulfonamide. This reaction needs reagent TEA and solvent acetonitrile by heating. The reaction time is 2 hours. The yield is 63%.   

People can use the following data to convert to the molecule structure.
1. SMILES:O=[N+]([O-])c1cc(ccc1Cl)S(=O)(=O)N
2. InChI:InChI=1/C6H5ClN2O4S/c7-5-2-1-4(14(8,12)13)3-6(5)9(10)11/h1-3H,(H2,8,12,13)