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CAS No.: | 5450-75-9 |
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Name: | NSC15155 |
Article Data: | 52 |
Molecular Structure: | |
Formula: | C15H17NO2S |
Molecular Weight: | 275.371 |
Synonyms: | - |
Density: | 1.179 g/cm3 |
Boiling Point: | 432.4 °C at 760 mmHg |
Flash Point: | 215.3 °C |
PSA: | 54.55000 |
LogP: | 3.98770 |
The 4-Methyl-N-phenethyl-benzenesulfonamide, with the CAS registry number of 5450-75-9, is also known as N-Phenethyl-p-toluenesulfonamide. Its molecular formula is C15H17NO2S and molecular weight is 275.365980. What's more, its IUPAC name is 4-Methyl-N-(2-phenylethyl)benzenesulfonamide.
Physical properties about the 4-Methyl-N-phenethyl-benzenesulfonamide are: (1)ACD/LogP: 3.63; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 45.76 Å2; (7)Index of Refraction: 1.58; (8)Molar Refractivity: 77.81 cm3; (9)Molar Volume: 233.5 cm3; (10)Surface Tension: 44.7 dyne/cm; (11)Density: 1.179 g/cm3; (12)Flash Point: 215.3 °C; (13)Enthalpy of Vaporization: 68.82 kJ/mol; (14)Boiling Point: 432.4 °C at 760 mmHg; (15)Vapour Pressure: 1.11E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(NCCc1ccccc1)c2ccc(cc2)C
(2) InChI: InChI=1/C15H17NO2S/c1-13-7-9-15(10-8-13)19(17,18)16-12-11-14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3
(3) InChIKey: HJIXJBGIPKKBSG-UHFFFAOYAC