3-BROMO-1-(PHENYLSULFONYL)-1H-INDOLE

The 3-Bromo-1-(phenylsulphonyl)-1H-indole, with the CAS registry number 99655-68-2, is also known as 1H-Indole, 3-bromo-1-(phenylsulfonyl)-. It belongs to the product category of Indoles and Derivatives. This chemical's molecular formula is C₁₄H₁₀BrNO₂S and molecular weight is 334.961562. Its IUPAC name is called 1-(benzenesulfonyl)-3-bromoindole. 

Physical properties of 3-Bromo-1-(phenylsulphonyl)-1H-indole: (1)ACD/LogP: 4.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.48; (4)ACD/LogD (pH 7.4): 4.48; (5)ACD/BCF (pH 5.5): 1505.98; (6)ACD/BCF (pH 7.4): 1505.98; (7)ACD/KOC (pH 5.5): 6550.6; (8)ACD/KOC (pH 7.4): 6550.6; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.669; (13)Molar Refractivity: 80.68 cm³; (14)Molar Volume: 216.1 cm³; (15)Surface Tension: 55.2 dyne/cm; (16)Density: 1.55 g/cm³; (17)Flash Point: 255 °C; (18)Enthalpy of Vaporization: 76.6 kJ/mol; (19)Boiling Point: 498 °C at 760 mmHg; (20)Vapour Pressure: 4.73E-10 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)Br
(2)InChI: InChI=1S/C14H10BrNO2S/c15-13-10-16(14-9-5-4-8-12(13)14)19(17,18)11-6-2-1-3-7-11/h1-10H
(3)InChIKey: MXPFKHHDXIJNDX-UHFFFAOYSA-N