Benzenesulfonamide,3-bromo-N-(1,1-dimethylethyl)- (308283-47-8)

The N-tert-Butyl-3-bromobenzenesulfonamide, with the CAS registry number 308283-47-8, has the systematic name and IUPAC name of 3-bromo-N-tert-butylbenzenesulfonamide. It belongs to the following product categories: Blocks; Bromides; Sulfonamides. And the molecular formula of the chemical is C₁₀H₁₄BrNO₂S.

The characteristics of N-tert-Butyl-3-bromobenzenesulfonamide are as followings: (1)ACD/LogP: 3.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.34; (4)ACD/LogD (pH 7.4): 3.34; (5)ACD/BCF (pH 5.5): 203.89; (6)ACD/BCF (pH 7.4): 203.88; (7)ACD/KOC (pH 5.5): 1565.6; (8)ACD/KOC (pH 7.4): 1565.46; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.76 Å²; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 65.46 cm³; (15)Molar Volume: 205.7 cm³; (16)Polarizability: 25.95×10^-24cm³; (17)Surface Tension: 40.5 dyne/cm; (18)Density: 1.419 g/cm³; (19)Flash Point: 174.7 °C; (20)Enthalpy of Vaporization: 61.16 kJ/mol; (21)Boiling Point: 365.3 °C at 760 mmHg; (22)Vapour Pressure: 1.58E-05 mmHg at 25°C.  

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(c1cc(Br)ccc1)NC(C)(C)C
(2)InChI: InChI=1/C10H14BrNO2S/c1-10(2,3)12-15(13,14)9-6-4-5-8(11)7-9/h4-7,12H,1-3H3
(3)InChIKey: PKTQHWKZGFKXGT-UHFFFAOYAY