≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1C(CN1)N2C(=CC=N2)C3=C(C=CC(=C3)C(F)(F)F)OC4=CC(=C(C=C4Cl)S(=O)(=O)NC5=NN=CS5)F |
|---|---|
| IUPAC Name | 4-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-(trifluoromethyl)phenoxy]-5-chloro-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide |
| InChIKey | XGPDJOZWOGPDLD-UHFFFAOYSA-N |
| INCHI | 1S/C21H15ClF4N6O3S2/c22-14-6-19(37(33,34)31-20-30-28-10-36-20)15(23)7-18(14)35-17-2-1-11(21(24,25)26)5-13(17)16-3-4-29-32(16)12-8-27-9-12/h1-7,10,12,27H,8-9H2,(H,30,31) |
| Isomeric SMILES | C1C(CN1)N2C(=CC=N2)C3=C(C=CC(=C3)C(F)(F)F)OC4=CC(=C(C=C4Cl)S(=O)(=O)NC5=NN=CS5)F |
| Molecular Weight | 574.95 |
| Reaxy-Rn | 22175883 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22175883&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Diphenylethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylethers |
| Alternative Parents | Phenylpyrazoles Diarylethers Trifluoromethylbenzenes Benzenesulfonamides Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Fluorobenzenes Chlorobenzenes Organosulfonamides Aryl chlorides Aryl fluorides Thiadiazoles Aminosulfonyl compounds Heteroaromatic compounds Azetidines Azacyclic compounds Dialkylamines Hydrocarbon derivatives Alkyl fluorides Organic oxides Organochlorides Organofluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Diphenylether - Diaryl ether - Phenylpyrazole - Trifluoromethylbenzene - Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Organosulfonic acid amide - Azole - Heteroaromatic compound - Aminosulfonyl compound - Thiadiazole - Sulfonyl - Pyrazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Azetidine - Secondary amine - Secondary aliphatic amine - Azacycle - Ether - Organoheterocyclic compound - Organonitrogen compound - Amine - Organohalogen compound - Organochloride - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organofluoride - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Molecular Weight | 575.000 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 7 |
| Exact Mass | 574.027 Da |
| Monoisotopic Mass | 574.027 Da |
| Topological Polar Surface Area | 148.000 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 898.000 |
| 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-[2-[1-(3-azetidinyl)-1h-pyrazol-5-yl]-4-(trifluoromethyl)phenoxy]-5-chloro-2-fluoro-n-1,3,4-thiadiazol-2-yl benzenesulfonamide - ≥97% CAS No(1354818-96-4) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/A/1/A173520.png)