N-Methyl-N-phenylbenzenesulfonamide

The N-Methyl-N-phenylbenzenesulfonamide, with CAS registry number 90-10-8, has the systematic name of N-methyl-N-phenylbenzenesulfonamide. And its IUPAC name is the same one. Besides this, it is also called Benzenesulfonanilide, N-methyl-. And the chemical formula of this chemical is C₁₃H₁₃NO₂S.

Physical properties of N-Methyl-N-phenylbenzenesulfonamide: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.95; (4)ACD/LogD (pH 7.4): 1.95; (5)ACD/BCF (pH 5.5): 17.79; (6)ACD/BCF (pH 7.4): 17.79; (7)ACD/KOC (pH 5.5): 273.22; (8)ACD/KOC (pH 7.4): 273.22; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 45.76 Å²; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 68.79 cm³; (15)Molar Volume: 197 cm³; (16)Polarizability: 27.27×10^-24cm³; (17)Surface Tension: 49.7 dyne/cm; (18)Enthalpy of Vaporization: 62.85 kJ/mol; (19)Vapour Pressure: 5.47E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by N-methyl-benzenesulfonamide and bromobenzene. This reaction will need reagents N,N-dimethylglycine, K₃PO₄, CuI and solvent dimethylformamide. The reaction time is 48 hour(s). The yield is about 82%.

Uses of N-Methyl-N-phenylbenzenesulfonamide: it can be used to produce N-methyl-aniline. This reaction will need reagents NaI, TMSCl and solvent acetonitrile. The reaction time is 3 hour(s). The yield is about 86%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(N(c1ccccc1)C)c2ccccc2
(2)InChI: InChI=1/C13H13NO2S/c1-14(12-8-4-2-5-9-12)17(15,16)13-10-6-3-7-11-13/h2-11H,1H3
(3)InChIKey: KRXAPUFKQQWAGK-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C13H13NO2S/c1-14(12-8-4-2-5-9-12)17(15,16)13-10-6-3-7-11-13/h2-11H,1H3
(5)Std. InChIKey: KRXAPUFKQQWAGK-UHFFFAOYSA-N