1-[(4-CHLOROPHENYL)(PHENYL)METHYL]-4-[(4-METHYLPHENYL)SULFONYL]PIPERAZINE

The Piperazine,1-[(R)-(4-chlorophenyl)phenylmethyl]-4-[(4-methylphenyl)sulfonyl]-, with CAS registry number 163837-56-7, has the systematic name of 1-[(4-chlorophenyl)(phenyl)methyl]-4-[(4-methylphenyl)sulfonyl]piperazine. And the chemical formula of this chemical is C₂₄H₂₅ClN₂O₂S.

Physical properties of Piperazine,1-[(R)-(4-chlorophenyl)phenylmethyl]-4-[(4-methylphenyl)sulfonyl]-: (1)ACD/LogP: 5.72; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 10500; (6)ACD/BCF (pH 7.4): 11434; (7)ACD/KOC (pH 5.5): 25662; (8)ACD/KOC (pH 7.4): 27945; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 49 Å²; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 123.298 cm³; (15)Molar Volume: 346.208 cm³; (16)Polarizability: 48.879×10^-24cm³; (17)Surface Tension: 51.593 dyne/cm; (18)Density: 1.274 g/cm³; (19)Flash Point: 292.991 °C; (20)Enthalpy of Vaporization: 84.353 kJ/mol; (21)Boiling Point: 560.849 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by N,N-bis-(2-chloro-ethyl)-toluene-4-sulfonamide and (-)-4-chlorobenzhydrylamine. This reaction will need reagent N,N-diisopropylethylamine. The reaction time is 3.5 hour(s). The yield is about 77%.

Uses of Piperazine,1-[(R)-(4-chlorophenyl)phenylmethyl]-4-[(4-methylphenyl)sulfonyl]-: it can be used to produce (-)-1-<(4-chlorophenyl)phenylmethyl>piperazine. This reaction will need reagents 30% HBr, 4-hydroxybenzoic acid and solvent acetic acid. The reaction time is 2 day(s). The yield is about 59%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(N3CCN(C(c1ccc(Cl)cc1)c2ccccc2)CC3)c4ccc(cc4)C
(2)InChI: InChI=1/C24H25ClN2O2S/c1-19-7-13-23(14-8-19)30(28,29)27-17-15-26(16-18-27)24(20-5-3-2-4-6-20)21-9-11-22(25)12-10-21/h2-14,24H,15-18H2,1H3
(3)InChIKey: JUQGYTLIFLVABO-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C24H25ClN2O2S/c1-19-7-13-23(14-8-19)30(28,29)27-17-15-26(16-18-27)24(20-5-3-2-4-6-20)21-9-11-22(25)12-10-21/h2-14,24H,15-18H2,1H3
(5)Std. InChIKey: JUQGYTLIFLVABO-UHFFFAOYSA-N