N-BENZYLBENZENESULFONAMIDE

The Benzenesulfonamide,N-(phenylmethyl)-, with the CAS registry number 837-18-3, has the systematic name of N-benzylbenzenesulfonamide. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₃H₁₃NO₂S.

The characteristics of Benzenesulfonamide,N-(phenylmethyl)- are as followings: (1)ACD/LogP: 2.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.75; (4)ACD/LogD (pH 7.4): 2.75; (5)ACD/BCF (pH 5.5): 72.3; (6)ACD/BCF (pH 7.4): 72.29; (7)ACD/KOC (pH 5.5): 745.42; (8)ACD/KOC (pH 7.4): 745.3; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 45.76 Ų; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 68.56 cm³; (15)Molar Volume: 200.7 cm³; (16)Polarizability: 27.18×10^-24cm³; (17)Surface Tension: 46.9 dyne/cm; (18)Density: 1.232 g/cm³; (19)Flash Point: 201.5 °C; (20)Enthalpy of Vaporization: 66.17 kJ/mol; (21)Boiling Point: 409.5 °C at 760 mmHg; (22)Vapour Pressure: 6.46E-07 mmHg at 25°C. 

Preparation of Benzenesulfonamide,N-(phenylmethyl)-: This chemical can be prepared by benzenesulfonyl chloride and benzylamine. The reaction will need reagent triethylamine, and the menstruum CH₂Cl₂. And the yield is about 100%. 

Uses of Benzenesulfonamide,N-(phenylmethyl)-: It can react with benzenesulfonyl chloride to produce bis-benzenesulfonyl-benzyl-amine. This reaction will need reagent NaH, and the menstruum tetrahydrofuran. And the yield is about 77.3%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(NCc1ccccc1)c2ccccc2
(2)InChI: InChI=1/C13H13NO2S/c15-17(16,13-9-5-2-6-10-13)14-11-12-7-3-1-4-8-12/h1-10,14H,11H2
(3)InChIKey: GRTPAOVVVLZLDP-UHFFFAOYAA

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD	oral	> 500mg/kg (500mg/kg)		National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 41, 1953.