Basic information
- CAS
301681-50-5- Standard SMILES
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1- InChIKey
KFEMQBROBHMUBC-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)-4-methoxybenzamide
- IUPAC
- N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-methoxybenzamide
- English name
- N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-methoxybenzamide
- Molecular formula
- C19H19N3O5S
- Molecular weight
- 401.44
Names & synonyms
301681-50-5N-(4-(N-(3,4-Dimethylisoxazol-5-yl)sulfamoyl)phenyl)-4-methoxybenzamideMLS000068264WAY-300408N-[4-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-phenyl]-4-methoxy-benzamideSMR000009612N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-methoxybenzamideN-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]-4-methoxy-benzamideN-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-4-methoxybenzamide(Z)-N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-4-methoxybenzene-1-carboximidic acidN-(4-(((3,4-DIMETHYL-5-ISOXAZOLYL)AMINO)SULFONYL)PHENYL)-4-METHOXYBENZAMIDEN-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-4-methoxybenzamide
Show more names
Benzamide, N-[4-[[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl]phenyl]-4-methoxy-
Oprea1_015452Oprea1_396379MLS000888615cid_655804CHEMBL1613610BDBM74566HMS2301N04STL331173
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
- 622
Physicochemical properties
- Density
- 1.384 · 1.384±0.06 g/cm3(Predicted)
- pka
- 4.62 · 4.62±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
Suppliers7 total
西安凯新生物科技有限公司029-68881181 13619217766 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
Aladdin Scientific[email protected]
济南九黎生物科技有限公司15865264761 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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