Benzenesulfonamide,3-chloro- (17260-71-8)

The 3-Chlorobenzenesulfonamide with the CAS number 17260-71-8 is also called Benzenesulfonamide,3-chloro-. Its molecular formula is C₆H₆ClNO₂S. The product category is sulfonamide. This chemical is irritant. While using this chemical, you should take the following instructions. Firstly you should not breathe dust. Then you should avoid this chemical contact with skin and eyes.

The properties of the chemical are: (1)ACD/LogP: 1.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.29; (4)ACD/LogD (pH 7.4): 1.29; (5)ACD/BCF (pH 5.5): 5.63; (6)ACD/BCF (pH 7.4): 5.61; (7)ACD/KOC (pH 5.5): 119.88; (8)ACD/KOC (pH 7.4): 119.43; (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: 1.59; (14)Molar Refractivity: 44.01 cm³; (15)Molar Volume: 130.3 cm³; (16)Polarizability: 17.45×10^-24cm³; (17)Surface Tension: 52 dyne/cm; (18)Enthalpy of Vaporization: 60.34 kJ/mol; (19)Vapour Pressure: 2.64c×10^-5 mmHg at 25°C.

Uses: This chemical can react with 1-chloro-4-isocyanato-benzene to prepare C₁₃H₁₀Cl₂N₂O₃S. This reaction needs reagent 1 N aq. NaOH and solvent acetone. The yield is 79%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1cc(Cl)ccc1)N
(2)InChI: InChI=1/C6H6ClNO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10)
(3)InChIKey: WSYQJNPRQUFCGL-UHFFFAOYAN