N-[4-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-phenyl]-2,2,2-trifluoro-acetamide
Basic information
- CAS
301681-25-4- Standard SMILES
Cc1noc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)c1C- InChIKey
KJEYNWQWLMDFIW-UHFFFAOYSA-N- Molecular formula
- C13H12F3N3O4S
- Average molar mass
- 363.31 g/mol
- Monoisotopic mass
- 363.05006153
Names & identifiers
- Preferred name
- N-[4-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-phenyl]-2,2,2-trifluoro-acetamide
- IUPAC
- N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
Names & synonyms
N-[4-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-phenyl]-2,2,2-trifluoro-acetamide301681-25-4MLS001203974CHEMBL1898492HMS2834K14AKOS000533510SMR000515472EU-0036422ST50185789SR-01000416055SR-01000416055-1N-(4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)-2,2,2-trifluoroacetamide
Show more names
N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2,2,2-trifluoroacetamideN-(4-{[(3,4-dimethylisoxazol-5-yl)amino]sulfonyl}phenyl)-2,2,2-trifluoroacetam ide
Database identifiers
- CAS
301681-25-4- PubChem CID
- 1107616
- ChEMBL
CHEMBL1898492- EC Number
- 144-538-5
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 556
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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