The 5-Amino-2-chloro-N-(2,4-dimethylphenyl)benzenesulphonamide, with CAS registry number 71215-81-1, has the systematic name of 5-amino-2-chloro-N-(2,4-dimethylphenyl)benzenesulfonamide. Besides this, it is also called benzenesulfonamide, 5-amino-2-chloro-N-(2,4-dimethylphenyl)-. And the chemical formula of this chemical is C14H15ClN2O2S. What's more, its EINECS is 275-269-2.
Physical properties of 5-Amino-2-chloro-N-(2,4-dimethylphenyl)benzenesulphonamide: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.55; (4)ACD/LogD (pH 7.4): 2.51; (5)ACD/BCF (pH 5.5): 51.18; (6)ACD/BCF (pH 7.4): 46.4; (7)ACD/KOC (pH 5.5): 581.8; (8)ACD/KOC (pH 7.4): 527.42; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 49 Å2; (13)Index of Refraction: 1.644; (14)Molar Refractivity: 81.62 cm3; (15)Molar Volume: 225.3 cm3; (16)Polarizability: 32.35×10-24cm3; (17)Surface Tension: 59.9 dyne/cm; (18)Enthalpy of Vaporization: 76.55 kJ/mol; (19)Vapour Pressure: 4.92E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1cc(ccc1Cl)N)Nc2ccc(cc2C)C
(2)InChI: InChI=1/C14H15ClN2O2S/c1-9-3-6-13(10(2)7-9)17-20(18,19)14-8-11(16)4-5-12(14)15/h3-8,17H,16H2,1-2H3
(3)InChIKey: SOWYLSRVTBKKJE-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C14H15ClN2O2S/c1-9-3-6-13(10(2)7-9)17-20(18,19)14-8-11(16)4-5-12(14)15/h3-8,17H,16H2,1-2H3
(5)Std. InChIKey: SOWYLSRVTBKKJE-UHFFFAOYSA-N
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