4-amino-3-nitro-benzenesulfonamide

The Benzenesulfonamide,4-amino-3-nitro- with CAS registry number of 2360-19-2 is also known as Sulfanilamide,3-nitro- (6CI,7CI,8CI). The IUPAC name is 4-Amino-3-nitrobenzenesulfonamide. In addition, the formula is C₆H₇N₃O₄S and the molecular weight is 217.20.

Physical properties of Benzenesulfonamide,4-amino-3-nitro-: (1)ACD/LogP: 0.67; (2)ACD/LogD (pH 5.5): 0.67; (3)ACD/LogD (pH 7.4): 0.66; (4)ACD/BCF (pH 5.5): 1.89; (5)ACD/BCF (pH 7.4): 1.88; (6)ACD/KOC (pH 5.5): 54.98; (7)ACD/KOC (pH 7.4): 54.55; (8)#H bond acceptors: 7; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.658; (12)Molar Refractivity: 48.84 cm³; (13)Molar Volume: 132.5 cm³; (14)Surface Tension: 81.4 dyne/cm; (15)Density: 1.639 g/cm³; (16)Flash Point: 244.4 °C; (17)Enthalpy of Vaporization: 74.51 kJ/mol; (18)Boiling Point: 480.6 °C at 760 mmHg; (19)Vapour Pressure: 2.15E-09 mmHg at 25 °C.

Preparation of Benzenesulfonamide,4-amino-3-nitro-: it is prepared by reaction of (2-nitro-4-sulfamoyl-phenyl)-carbamic acid ethyl ester. The reaction needs reagent 90percent aq. H₂SO₄ with other condition of heating for 1 hour. The yield is about 83%.

Uses of Benzenesulfonamide,4-amino-3-nitro-: it is used to produce 2-oxo-2,3-dihydro-benzooxazole-5-sulfonic acid (2-nitro-4-sulfamoyl-phenyl)-amide by reaction with 2-oxo-2,3-dihydro-benzoxazole-5-sulfonyl chloride. The reaction occurs at the temperature of 155-160 °C for 3 hours. The yield is about 71%.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])N
2. InChI: InChI=1S/C6H7N3O4S/c7-5-2-1-4(14(8,12)13)3-6(5)9(10)11/h1-3H,7H2,(H2,8,12,13)
3. InChIKey: DZJCUJCWFQPICK-UHFFFAOYSA-N