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CAS No.: | 33456-68-7 |
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Name: | p-[2-(3,4-dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1H)-isoquinolyl)ethyl]benzenesulphonamide |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C20H22N2O5S |
Molecular Weight: | 402.471 |
Synonyms: | Benzenesulfonamide,p-[2-(3,4-dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1H)-isoquinolyl)ethyl]-(8CI); |
EINECS: | 251-529-0 |
Density: | 1.298 g/cm3 |
Melting Point: | 200-202℃ |
Boiling Point: | 643.7 °C at 760 mmHg |
Flash Point: | 343.1 °C |
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The Benzenesulfonamide,4-[2-(3,4-dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1H)-isoquinolinyl)ethyl]- is an organic compound with the formula C20H22N2O5S. The IUPAC name of this chemical is 4-[2-(7-Methoxy-4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)ethyl]benzenesulfonamide. With the CAS registry number 33456-68-7, it is also named as p-[2-[(3,4-Dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-1H-isoquinolin)-2-yl]ethyl]benzenesulfonamide. Besides, its molecular weight is 402.464.
Physical properties about Benzenesulfonamide,4-[2-(3,4-dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1H)-isoquinolinyl)ethyl]- are: (1)ACD/LogP: 1.09; (2)ACD/LogD (pH 5.5): 1.09; (3)ACD/LogD (pH 7.4): 1.09; (4)ACD/BCF (pH 5.5): 3.97; (5)ACD/BCF (pH 7.4): 3.96; (6)ACD/KOC (pH 5.5): 93.36; (7)ACD/KOC (pH 7.4): 93.2; (8)#H bond acceptors: 7; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 92.37 Å2; (12)Index of Refraction: 1.591; (13) Molar Refractivity: 104.75 cm3; (14)Molar Volume: 309.9 cm3; (15)Polarizability: 41.52×10-24 cm3; (16)Surface Tension: 50.3 dyne/cm; (17)Density: 1.298 g/cm3; (18)Flash Point: 343.1 °C; (19)Enthalpy of Vaporization: 94.98 kJ/mol; (20)Boiling Point: 643.7 °C at 760 mmHg; (21)Vapour Pressure: 1.84E-16 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C20H22N2O5S/c1-20(2)17-9-6-14(27-3)12-16(17)18(23)22(19(20)24)11-10-13-4-7-15(8-5-13)28(21,25)26/h4-9,12H,10-11H2,1-3H3,(H2,21,25,26)
(2)InChIKey: YJHGEYXLMLMFCF-UHFFFAOYAG
(3)Std. InChI: InChI=1S/C20H22N2O5S/c1-20(2)17-9-6-14(27-3)12-16(17)18(23)22(19(20)24)11-10-13-4-7-15(8-5-13)28(21,25)26/h4-9,12H,10-11H2,1-3H3,(H2,21,25,26)
(4)Std. InChIKey: YJHGEYXLMLMFCF-UHFFFAOYSA-N