3-amino-4-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
Basic information
- CAS
565209-22-5- Standard SMILES
Cc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1N- InChIKey
OAXYHSGWCABISI-UHFFFAOYSA-N- Molecular formula
- C14H13F3N2O2S
- Average molar mass
- 330.33 g/mol
- Monoisotopic mass
- 330.06498332
Names & identifiers
- Preferred name
- 3-amino-4-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
- IUPAC
- 3-amino-4-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
- English name
- 3-amino-4-methyl-N-[3-(trifluoromethyl)phenyl]benzene-1-sulfonamide
- Molecular formula
- C14H13F3N2O2S
- Molecular weight
- 330.33
Names & synonyms
565209-22-53-amino-4-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide3-amino-4-methyl-N-[3-(trifluoromethyl)phenyl]benzene-1-sulfonamideMFCD04611959QXA20922AKOS034466393CS-0220586EN300-07002G35379SR-01000045175SR-01000045175-1Z56930662
Show more names
Benzenesulfonamide, 3-amino-4-methyl-N-[3-(trifluoromethyl)phenyl]-
Database identifiers
- CAS
565209-22-5- PubChem CID
- 4583533
- EC Number
- 154-814-7
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 475
Physicochemical properties
- Boiling point
- 451.7 · 451.7±55.0 °C(Predicted)
- Density
- 1.432 · 1.432±0.06 g/cm3(Predicted)
- pka
- 8.08 · 8.08±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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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
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