Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzenesulfonamide,N-ethyl-4-methyl-N-phenyl- |
EINECS | N/A |
CAS No. | 1821-40-5 | Density | 1.197 g/cm3 |
PSA | 45.76000 | LogP | 4.29100 |
Solubility | N/A | Melting Point |
N/A |
Formula | C15H17NO2S | Boiling Point | 404.4 °C at 760 mmHg |
Molecular Weight | 275.371 | Flash Point | 198.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
p-Toluenesulfonanilide,N-ethyl- (6CI,7CI,8CI);N-Ethyl-N-phenyl-p-toluenesulfonamide; |
Article Data | 11 |
The CAS registry number of Benzenesulfonamide,N-ethyl-4-methyl-N-phenyl- is 1821-40-5. This chemical is also named as p-Toluenesulfonanilide, N-ethyl-. In addition, its molecular formula is C15H17NO2S and molecular weight is 275.366. Its systematic name and IUPAC name are the same which is called N-ethyl-4-methyl-N-phenylbenzenesulfonamide.
Physical properties about Benzenesulfonamide,N-ethyl-4-methyl-N-phenyl- are: (1)ACD/LogP: 2.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.94; (4)ACD/LogD (pH 7.4): 2.94; (5)ACD/BCF (pH 5.5): 100.85; (6)ACD/BCF (pH 7.4): 100.85; (7)ACD/KOC (pH 5.5): 945.91; (8)ACD/KOC (pH 7.4): 945.91; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.594; (13)Molar Refractivity: 78.04 cm3; (14)Molar Volume: 229.8 cm3; (15)Surface Tension: 46.9 dyne/cm; (16)Density: 1.197 g/cm3; (17)Flash Point: 198.4 °C; (18)Enthalpy of Vaporization: 65.58 kJ/mol; (19)Boiling Point: 404.4 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(N(c1ccccc1)CC)c2ccc(cc2)C
(2)InChI: InChI=1/C15H17NO2S/c1-3-16(14-7-5-4-6-8-14)19(17,18)15-11-9-13(2)10-12-15/h4-12H,3H2,1-2H3
(3)InChIKey: IXLBWOFLBSGRAP-UHFFFAOYAF
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LD | oral | > 500mg/kg (500mg/kg) | National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 41, 1953. |