≥90% 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 | C1=CC(=CC=C1NC(=O)C2=C(SN=N2)S(=O)(=O)C3=CC=C(C=C3)Cl)F |
|---|---|
| IUPAC Name | 5-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)thiadiazole-4-carboxamide |
| InChIKey | ICDOKZOUOOXWGT-UHFFFAOYSA-N |
| INCHI | 1S/C15H9ClFN3O3S2/c16-9-1-7-12(8-2-9)25(22,23)15-13(19-20-24-15)14(21)18-11-5-3-10(17)4-6-11/h1-8H,(H,18,21) |
| Isomeric SMILES | C1=CC(=CC=C1NC(=O)C2=C(SN=N2)S(=O)(=O)C3=CC=C(C=C3)Cl)F |
| PubChem CID | 3788328 |
| Molecular Weight | 397.83 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aromatic anilides |
| Alternative Parents | Benzenesulfonyl compounds 2-heteroaryl carboxamides Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Thiadiazoles Sulfones Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organonitrogen compounds Organooxygen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aromatic anilide - Benzenesulfonyl group - 2-heteroaryl carboxamide - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Azole - Heteroaromatic compound - Sulfone - Sulfonyl - Thiadiazole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group. |
| External Descriptors | Not available |
| Molecular Weight | 397.800 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 396.976 Da |
| Monoisotopic Mass | 396.976 Da |
| Topological Polar Surface Area | 126.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 573.000 |
| 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 |
![5-[(4-chlorophenyl)sulfonyl]-N-(4-fluorophenyl)-1,2,3-thiadiazole-4-carboxamide - ≥90% , CAS No.338791-91-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)