4-methyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
Basic information
- CAS
329941-42-6- Standard SMILES
Cc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1- InChIKey
OKKLBZGYMORYHE-UHFFFAOYSA-N- Molecular formula
- C14H12F3NO2S
- Average molar mass
- 315.31 g/mol
- Monoisotopic mass
- 315.05408429
Names & identifiers
- Preferred name
- 4-methyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
- IUPAC
- 4-methyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
- English name
- 4-methyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
- Molecular formula
- C14H12F3NO2S
- Molecular weight
- 315.31
Names & synonyms
4-methyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide329941-42-65173-95-54-Methyl-N-[2-(trifluoromethyl)phenyl]benzene-1-sulfonamideCBMicro_013214DTXSID90351831OKKLBZGYMORYHE-UHFFFAOYSA-NSMSF0004084STK032599AKOS002932163CB03502ST010911
Show more names
2-Trifluoromethylphenyl toluenesulfonamideBenzenesulfonamide, 4-methyl-N-[2-(trifluoromethyl)phenyl]-
BIM-0013207.P001H81864SR-01000477976SR-01000477976-1[(4-methylphenyl)sulfonyl][2-(trifluoromethyl)phenyl]amine
Database identifiers
- CAS
329941-42-6、5173-95-5- PubChem CID
- 711040
- DTXSID
DTXSID90351831- EC Number
- 149-869-9
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 436
Physicochemical properties
- Boiling point
- 393.6 · 393.6±52.0 °C(Predicted)
- Density
- 1.38 · 1.380±0.06 g/cm3(Predicted)
- pka
- 7.78 · 7.78±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…