Basic information
- CAS
303118-87-8- Standard SMILES
Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1- InChIKey
HNNJBMSTSZGJMQ-UHFFFAOYSA-N- Molecular formula
- C20H20ClN3O5S
- Average molar mass
- 449.9 g/mol
- Monoisotopic mass
- 449.0812196
Names & identifiers
- Preferred name
- 2-(4-chloro-2-methylphenoxy)-N-(4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)acetamide
- IUPAC
- 2-(4-chloro-2-methylphenoxy)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide
- English name
- 2-(4-chloro-2-methylphenoxy)-N-(4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)acetamide
- Molecular formula
- C20H20ClN3O5S
- Molecular weight
- 449.91
Names & synonyms
303118-87-82-(4-chloro-2-methylphenoxy)-N-(4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)acetamide2-(4-chloro-2-methylphenoxy)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide2-(4-chloro-2-methylphenoxy)-N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}acetamideCBMicro_001833Cambridge id 6143065Oprea1_312560Oprea1_478768SMSF0015118STL332416AKOS000540177CB03282
Show more names
2-(4-CL-2-ME-PHENOXY)-N-(4-(((3,4-DI-ME-5-ISOXAZOLYL)AMINO)SULFONYL)PH)ACETAMIDEAcetamide, 2-(4-chloro-2-methylphenoxy)-N-[4-[[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl]phenyl]-
BIM-0001778.P001ST50189754AB00672706-01SR-01000434628SR-01000434628-1F0849-52862-(4-chloro-2-methylphenoxy)-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)acetamideN-(4-{[(3,4-dimethylisoxazol-5-yl)amino]sulfonyl}phenyl)-2-(4-chloro-2-methylp henoxy)acetamide
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 680
Physicochemical properties
- Density
- 1.42 · 1.420±0.06 g/cm3(Predicted)
- pka
- 4.6 · 4.60±0.50(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%)
Chemistry & industry
Suppliers3 total
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
IFLAB-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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