Basic information
- CAS
302950-24-9- Standard SMILES
COc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c1- InChIKey
QGJMEBLBQUXRJV-UHFFFAOYSA-N- Molecular formula
- C19H19N3O5S
- Average molar mass
- 401.4 g/mol
- Monoisotopic mass
- 401.10454189
Names & identifiers
- Preferred name
- N-(4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)-3-methoxybenzamide
- IUPAC
- N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-methoxybenzamide
Names & synonyms
302950-24-9N-(4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)-3-methoxybenzamideN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-methoxybenzamideN-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-3-methoxybenzamideSMR000106134CBMicro_046644Oprea1_337669Oprea1_634159MLS000110203MLS002540399CHEMBL1609389HMS2351P07
Show more names
STL332048AKOS002261819BIM-0046485.P001ST50188874VU0167474-4AB00438331-09SR-01000433345SR-01000433345-1
Database identifiers
- CAS
302950-24-9- PubChem CID
- 978533
- ChEMBL
CHEMBL1609389- EC Number
- 144-431-3
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 630
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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