2-CHLORO-3-NITROTHIOPHENE-5-SULFONAMIDE

This chemical is called 2-Thiophenesulfonamide, 5-chloro-4-nitro-, and its systematic name is 5-chloro-4-nitrothiophene-2-sulfonamide. With the molecular formula of C₄H₃ClN₂O₄S₂, its molecular weight is 242.66. The CAS registry number of this chemical is 61714-46-3.

Other characteristics of the 2-Thiophenesulfonamide, 5-chloro-4-nitro- can be summarised as followings: (1)ACD/LogP: 0.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.95; (4)ACD/LogD (pH 7.4): 0.95; (5)ACD/BCF (pH 5.5): 3.12; (6)ACD/BCF (pH 7.4): 3.07; (7)ACD/KOC (pH 5.5): 78.59; (8)ACD/KOC (pH 7.4): 77.2; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 119.82 Å²; (13)Index of Refraction: 1.652; (14)Molar Refractivity: 48.19 cm³; (15)Molar Volume: 131.6 cm³; (16)Polarizability: 19.1×10^-24cm³; (17)Surface Tension: 78.6 dyne/cm; (18)Density: 1.843 g/cm³; (19)Flash Point: 238.6 °C; (20)Enthalpy of Vaporization: 73.36 kJ/mol; (21)Boiling Point: 471 °C at 760 mmHg; (22)Vapour Pressure: 4.83E-09 mmHg at 25°C.

Uses of this chemical: The 2-Thiophenesulfonamide, 5-chloro-4-nitro- could react with mercaptosuccinic acid, and obtain the 2-(3-nitro-5-sulfamoyl-thiophen-2-ylsulfanyl)-succinic acid. This reaction needs the solvent of methanol. The yield is 66 %. In addition, this reaction should be taken at ambient temperature.

You can still convert the following datas into molecular structure:
1.SMILES: O=[N+]([O-])c1cc(sc1Cl)S(=O)(=O)N
2.InChI: InChI=1/C4H3ClN2O4S2/c5-4-2(7(8)9)1-3(12-4)13(6,10)11/h1H,(H2,6,10,11)
3.InChIKey: CKMLFNQCVNTKHN-UHFFFAOYAX