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Benzenesulfonamide,3-bromo-4-methyl-N-(phenylmethyl)-

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Name

Benzenesulfonamide,3-bromo-4-methyl-N-(phenylmethyl)-

EINECS N/A
CAS No. 850429-67-3 Density 1.459 g/cm3
PSA 54.55000 LogP 4.70770
Solubility N/A Melting Point 98-101 °C
Formula C14H14BrNO2S Boiling Point 465.1 °C at 760 mmHg
Molecular Weight 340.241 Flash Point 235.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 850429-67-3 (Benzenesulfonamide,3-bromo-4-methyl-N-(phenylmethyl)-) Hazard Symbols IrritantXi
Synonyms

N-Benzyl-3-bromo-4-methylbenzenesulfonamide;N-Benzyl-N-3-bromo-4-methylbenzenesulphonamide;

 

Benzenesulfonamide,3-bromo-4-methyl-N-(phenylmethyl)- Specification

The Benzenesulfonamide,3-bromo-4-methyl-N-(phenylmethyl)-, with the CAS registry number 850429-67-3, is also known as N-Benzyl-N-3-bromo-4-methylbenzenesulphonamide. It belongs to the product categories of Blocks; Bromides; Sulfonamides. This chemical's molecular formula is C14H14BrNO2S and molecular weight is 340.24. What's more, its systematic name is N-benzyl-3-bromo-4-methylbenzenesulfonamide. 

Physical properties of Benzenesulfonamide,3-bromo-4-methyl-N-(phenylmethyl)- are: (1)ACD/LogP: 4.35; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 45.76 Å2; (7)Index of Refraction: 1.61; (8)Molar Refractivity: 80.9 cm3; (9)Molar Volume: 233.1 cm3; (10)Polarizability: 32.07×10-24cm3; (11)Surface Tension: 48.3 dyne/cm; (12)Density: 1.459 g/cm3; (13)Flash Point: 235.1 °C; (14)Enthalpy of Vaporization: 72.67 kJ/mol; (15)Boiling Point: 465.1 °C at 760 mmHg; (16)Vapour Pressure: 7.89E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2)Br
(2)InChI: InChI=1S/C14H14BrNO2S/c1-11-7-8-13(9-14(11)15)19(17,18)16-10-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3
(3)InChIKey: UDIVRJRBNLDWNI-UHFFFAOYSA-N

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