4-Methyl-N-[2-(1-pyrrolidinyl)ethyl]benzenesulfonamide (1188264-95-0)

The 4-Methyl-N-[2-(1-pyrrolidinyl)ethyl]benzenesulfonamide, with the CAS registry number 1188264-95-0, has the systematic name of 4-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide. It is a kind of organics, and should be stored at dry and cool environment. And the molecular formula of the chemical is C₁₃H₂₀N₂O₂S.

The characteristics of 4-Methyl-N-[2-(1-pyrrolidinyl)ethyl]benzenesulfonamide are as followings: (1)ACD/LogP: 2.09; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 2.278; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 57.79 Å²; (11)Index of Refraction: 1.556; (12)Molar Refractivity: 73.469 cm³; (13)Molar Volume: 228.611 cm³; (14)Polarizability: 29.125×10^-24cm³; (15)Surface Tension: 43.492 dyne/cm; (16)Density: 1.174 g/cm³; (17)Flash Point: 202.017 °C; (18)Enthalpy of Vaporization: 66.275 kJ/mol; (19)Boiling Point: 410.424 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1ccc(cc1)S(=O)(=O)NCCN2CCCC2
(2)InChI: InChI=1/C13H20N2O2S/c1-12-4-6-13(7-5-12)18(16,17)14-8-11-15-9-2-3-10-15/h4-7,14H,2-3,8-11H2,1H3
(3)InChIKey: FDSXNRZUFHYLHK-UHFFFAOYAN