N-(5-Bromo-2-pyridinyl)methanesulfonamide (89466-22-8)

The N-(5-Bromo-2-pyridinyl)methanesulfonamide, with the CAS registry number 89466-22-8, has the systematic name of N-(5-bromopyridin-2-yl)methanesulfonamide. And it is also called methanesulfonamide, N-(5-bromo-2-pyridinyl)-. The molecular formula of the chemical is C₆H₇BrN₂O₂S.

The characteristics of N-(5-Bromo-2-pyridinyl)methanesulfonamide are as followings: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 58.65 Å²; (7)Index of Refraction: 1.626; (8)Molar Refractivity: 49.36 cm³; (9)Molar Volume: 139.3 cm³; (10)Polarizability: 19.57×10^-24cm³; (11)Surface Tension: 63.9 dyne/cm; (12)Density: 1.802 g/cm³; (13)Flash Point: 163.9 °C; (14)Enthalpy of Vaporization: 59.18 kJ/mol; (15)Boiling Point: 347.5 °C at 760 mmHg; (16)Vapour Pressure: 5.37E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(Nc1ncc(Br)cc1)C
(2)InChI: InChI=1/C6H7BrN2O2S/c1-12(10,11)9-6-3-2-5(7)4-8-6/h2-4H,1H3,(H,8,9)
(3)InChIKey: WOYAADKYEDTQCR-UHFFFAOYAZ