N-[4-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-phenyl]-3,4,5-trimethoxy-benzamide
Basic information
- CAS
292052-10-9- Standard SMILES
COc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc(OC)c1OC- InChIKey
WLIZTJCHGLGJGF-UHFFFAOYSA-N- Molecular formula
- C21H23N3O7S
- Average molar mass
- 461.5 g/mol
- Monoisotopic mass
- 461.12567125
Names & identifiers
- Preferred name
- N-[4-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-phenyl]-3,4,5-trimethoxy-benzamide
- IUPAC
- N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide
Names & synonyms
292052-10-9SMR000105516N-[4-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-phenyl]-3,4,5-trimethoxy-benzamideN-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-3,4,5-trimethoxybenzamideN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4,5-trimethoxybenzamideOprea1_045894Oprea1_871271MLS000109576MLS002540283CHEMBL1413073HMS2284P22STL362897
Show more names
AKOS000533260ST50185803AB00438627-09AG-690/12887856N-(4-(((3,4-DIMETHYL-5-ISOXAZOLYL)AMINO)SULFONYL)PH)-3,4,5-TRIMETHOXYBENZAMIDEN-(4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)-3,4,5-trimethoxybenzamideN-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-3,4,5-trimethoxybenzamideN-(4-{[(3,4-dimethylisoxazol-5-yl)amino]sulfonyl}phenyl)(3,4,5-trimethoxypheny l)carboxamide
Database identifiers
- CAS
292052-10-9- PubChem CID
- 987772
- ChEMBL
CHEMBL1413073- EC Number
- 140-060-6
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 709
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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