1H-Pyrrolo[2,3-b]pyridine,2-iodo-1-(phenylsulfonyl)- (282734-63-8)

The 1-Benzenesulfonyl-2-iodo-7-azaindole with the cas number 282734-63-8 is also called 1H-Pyrrolo[2,3-b]pyridine,2-iodo-1-(phenylsulfonyl)-. The IUPAC name is 1-(benzenesulfonyl)-2-iodopyrrolo[2,3-b]pyridine. Its molecular formula is C₁₃H₉IN₂O₂S. This chemical should be stored in dry and cool environment.

The properties of the chemical are:  (1)ACD/LogP: 3.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 216; (6)ACD/BCF (pH 7.4): 216; (7)ACD/KOC (pH 5.5): 1630; (8)ACD/KOC (pH 7.4): 1630; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 60.34 Å²; (13)Index of Refraction: 1.736; (14)Molar Refractivity: 84.225 cm³; (15)Molar Volume: 209.802 cm³; (16)Polarizability: 33.39×10^-24cm³; (17)Surface Tension: 62.389 dyne/cm ; (18)Enthalpy of Vaporization: 80.501 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)S(=O)(=O)n2c(cc3c2nccc3)I
(2)InChI: InChI=1/C13H9IN2O2S/c14-12-9-10-5-4-8-15-13(10)16(12)19(17,18)11-6-2-1-3-7-11/h1-9H
(3)InChIKey: RWGDHZXCZZVWDC-UHFFFAOYAW