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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CN1C(=NN=C1C(F)(F)F)CN(O)S(=O)(=O)C2=CC=C(C=C2)Cl |
|---|---|
| IUPAC Name | 4-chloro-N-hydroxy-N-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]benzenesulfonamide |
| InChIKey | IBZTUFLYVCZUCA-UHFFFAOYSA-N |
| INCHI | 1S/C11H10ClF3N4O3S/c1-18-9(16-17-10(18)11(13,14)15)6-19(20)23(21,22)8-4-2-7(12)3-5-8/h2-5,20H,6H2,1H3 |
| Isómeros SMILES | CN1C(=NN=C1C(F)(F)F)CN(O)S(=O)(=O)C2=CC=C(C=C2)Cl |
| PubChem CID | 1475294 |
| Peso molecular | 370.74 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzenesulfonamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonamides |
| Alternative Parents | Benzenesulfonyl compounds Chlorobenzenes Aryl chlorides Triazoles Organosulfonic acids and derivatives Heteroaromatic compounds Aminosulfonyl compounds N-organohydroxylamines Azacyclic compounds Organopnictogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzenesulfonamide - Benzenesulfonyl group - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Azole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - 1,2,4-triazole - Aminosulfonyl compound - Heteroaromatic compound - Organoheterocyclic compound - N-organohydroxylamine - Azacycle - Alkyl halide - Organosulfur compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Alkyl fluoride - Organopnictogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring. |
| External Descriptors | Not available |
| Peso molecular | 370.740 g/mol |
|---|---|
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 370.011 Da |
| Monoisotopic Mass | 370.011 Da |
| Topological Polar Surface Area | 96.700 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 508.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![4-chloro-N-hydroxy-N-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]methyl}benzenesulfonamide , CAS No.400081-53-0](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)