Benzenamine,2-methoxy-5-[(phenylmethyl)sulfonyl]- (2815-50-1)

The 5-Benzylsulfonyl-2-methoxy-aniline with its cas register number is 2815-50-1. It also can be called as Benzenamine,2-methoxy-5-[(phenylmethyl)sulfonyl]- and the IUPAC Name about this chemical is 5-benzylsulfonyl-2-methoxyaniline.

Physical properties about 5-Benzylsulfonyl-2-methoxy-aniline are: (1)ACD/LogP: 1.32; (2)ACD/LogD (pH 5.5): 1.32; (3)ACD/LogD (pH 7.4): 1.32; (4)ACD/BCF (pH 5.5): 5.94; (5)ACD/BCF (pH 7.4): 5.95; (6)ACD/KOC (pH 5.5): 124.55; (7)ACD/KOC (pH 7.4): 124.73; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 54.99Ų; (12)Index of Refraction: 1.602; (13)Molar Refractivity: 74.89 cm³; (14)Molar Volume: 218.1 cm³; (15)Polarizability: 29.68x10^-24cm³; (16)Surface Tension: 51.2 dyne/cm; (17)Enthalpy of Vaporization: 78.6 kJ/mol; (18)Vapour Pressure: 1.09E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C=C(C=C1)S(=O)(=O)CC2=CC=CC=C2)N
(2)InChI: InChI=1S/C14H15NO3S/c1-18-14-8-7-12(9-13(14)15)19(16,17)10-11-5-3-2-4-6-11/h2-9H,10,15H2,1H3
(3)InChIKey: XTTHAADPPZNOBT-UHFFFAOYSA-N