N-(2-IODOETHYL)-N,4-DIMETHYLBENZENESULFONAMIDE

The CAS registry number of Benzenesulfonamide,N-(2-iodoethyl)-N,4-dimethyl- is 3409-85-6. This chemical is also named as p-Toluenesulfonamide,N-(2-iodoethyl)-N-methyl- (7CI,8CI). In addition, its molecular formula is C₁₀H₁₄INO₂S and molecular weight is 339.19. Its systematic name is called N-(2-iodoethyl)-N,4-dimethylbenzenesulfonamide.

Physical properties about Benzenesulfonamide,N-(2-iodoethyl)-N,4-dimethyl- are: (1)ACD/LogP: 3.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.3; (4)ACD/LogD (pH 7.4): 3.3; (5)ACD/BCF (pH 5.5): 188.43; (6)ACD/BCF (pH 7.4): 188.43; (7)ACD/KOC (pH 5.5): 1479.66; (8)ACD/KOC (pH 7.4): 1479.66; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.602; (13)Molar Refractivity: 70.89 cm³; (14)Molar Volume: 206.5 cm³; (15)Surface Tension: 48 dyne/cm; (16)Density: 1.641 g/cm³; (17)Flash Point: 187 °C; (18)Enthalpy of Vaporization: 63.44 kJ/mol; (19)Boiling Point: 385.6 °C at 760 mmHg.

Preparation: this chemical can be prepared by Bis-(toluol-4-sulfonyl)-N-methyl-aethanol-amin by heating. This reaction will need reagent NaI and solvent acetone. The yield is about 100 %.

Uses of Benzenesulfonamide,N-(2-iodoethyl)-N,4-dimethyl-: it can be used to produce 1,10-Ditosyl-1,4,7,10-tetramethyltriethylenetetramine by heating. It will need reagent K₂CO₃ and solvent acetonitrile with reaction time of 10 hours. The yield is about 99 %.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(cc1)C)N(CCI)C
(2)InChI: InChI=1/C10H14INO2S/c1-9-3-5-10(6-4-9)15(13,14)12(2)8-7-11/h3-6H,7-8H2,1-2H3
(3)InChIKey: KHUIPWWXWPKLEF-UHFFFAOYAJ