The 3-Bromo-N, N-diethyl-4-methyl-benzenesulfonamide, with the CAS registry number 850429-71-9, is also known as N, N-Diethyl 3-bromo-4-methylbenzenesulfonamide. It belongs to the product categories of Blocks; Bromides; Sulfonamides. This chemical's molecular formula is C11H16BrNO2S and molecular weight is 306.22. What's more, its IUPAC name is 3-Bromo-N, N-diethyl-4-methylbenzenesulfonamide.
Physical properties about 3-Bromo-N, N-diethyl-4-methyl-benzenesulfonamide are: (1)ACD/LogP: 4.01; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 45.76 Å2; (7)Index of Refraction: 1.55; (8)Molar Refractivity: 70.31 cm3; (9)Molar Volume: 220.4 cm3; (10)Polarizability: 27.87×10-24 cm3; (11)Surface Tension: 41.4 dyne/cm; (12)Density: 1.389 g/cm3; (13)Flash Point: 182.2 °C; (14)Enthalpy of Vaporization: 62.54 kJ/mol; (15)Boiling Point: 377.6 °C at 760 mmHg; (16)Vapour Pressure: 6.65E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(ccc1C)S(=O)(=O)N(CC)CC
(2) InChI: InChI=1/C11H16BrNO2S/c1-4-13(5-2)16(14,15)10-7-6-9(3)11(12)8-10/h6-8H,4-5H2,1-3H3
(3) InChIKey: OGLQPDZZDCFKRG-UHFFFAOYAR
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