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Name |
Benzenesulfonamide,4-[3-(2,5-difluorophenyl)-4,5-dihydro-5,5-dimethyl-4-oxo-2-furanyl]- |
EINECS | N/A |
CAS No. | 301693-32-3 | Density | 1.407 g/cm3 |
PSA | 94.84000 | LogP | 4.63950 |
Solubility | N/A | Melting Point |
N/A |
Formula | C18H15F2NO4S | Boiling Point | 528.045 °C at 760 mmHg |
Molecular Weight | 379.384 | Flash Point | 273.152 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-[3-(2,5-difluorophenyl)-5,5-dimethyl-4-oxo-4,5-dihydrofuran-2-yl]benzenesulfonamide; |
The Benzenesulfonamide,4-[3-(2,5-difluorophenyl)-4,5-dihydro-5,5-dimethyl-4-oxo-2-furanyl]- is an organic compound with the formula C18H15F2NO4S. With the CAS registry number 301693-32-3, its systematic name is 4-[3-(2,5-difluorophenyl)-5,5-dimethyl-4-oxo-4,5-dihydrofuran-2-yl]benzenesulfonamide.
Physical properties of Benzenesulfonamide,4-[3-(2,5-difluorophenyl)-4,5-dihydro-5,5-dimethyl-4-oxo-2-furanyl]-: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 45; (6)ACD/BCF (pH 7.4): 45; (7)ACD/KOC (pH 5.5): 531; (8)ACD/KOC (pH 7.4): 530; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.591; (13)Molar Refractivity: 91.184 cm3; (14)Molar Volume: 269.685 cm3; (15)Surface Tension: 48.757 dyne/cm; (16)Density: 1.407 g/cm3; (17)Flash Point: 273.152 °C; (18)Enthalpy of Vaporization: 80.277 kJ/mol; (19)Boiling Point: 528.045 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c3ccc(C=1OC(C(=O)C=1c2cc(F)ccc2F)(C)C)cc3)N
(2)InChI: InChI=1/C18H15F2NO4S/c1-18(2)17(22)15(13-9-11(19)5-8-14(13)20)16(25-18)10-3-6-12(7-4-10)26(21,23)24/h3-9H,1-2H3,(H2,21,23,24)
(3)InChIKey: ZMVDDLUMOMUNMY-UHFFFAOYAF