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≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | CC1=C(C=C(C=C1)S(=O)(=O)N)Cl |
|---|---|
| IUPAC Name | 3-chloro-4-methylbenzenesulfonamide |
| InChIKey | YAUUWNCFVUUNCM-UHFFFAOYSA-N |
| INCHI | 1S/C7H8ClNO2S/c1-5-2-3-6(4-7(5)8)12(9,10)11/h2-4H,1H3,(H2,9,10,11) |
| Isomeric SMILES | CC1=C(C=C(C=C1)S(=O)(=O)N)Cl |
| Molecular Weight | 205.66 |
| Reaxy-Rn | 2364095 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2364095&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Toluenes |
| Intermediate Tree Nodes | Tosyl compounds |
| Direct Parent | P-toluenesulfonamides |
| Alternative Parents | Benzenesulfonamides Benzenesulfonyl compounds Chlorobenzenes Organosulfonamides Aryl chlorides Aminosulfonyl compounds Organochlorides Organic oxides Organic nitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | P-toluenesulfonamide - Benzenesulfonamide - Benzenesulfonyl group - Chlorobenzene - Halobenzene - Organosulfonic acid amide - Aryl chloride - Aryl halide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Hydrocarbon derivative - Organosulfur compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as p-toluenesulfonamides. These are aromatic heterocyclic compounds containing a toluene that is p-substituted with a sulfonamide group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Feb 11, 2025 | C170753 | |
| Certificate of Analysis | Feb 11, 2025 | C170753 | |
| Certificate of Analysis | Feb 11, 2025 | C170753 | |
| Certificate of Analysis | Feb 11, 2025 | C170753 | |
| Certificate of Analysis | Feb 11, 2025 | C170753 | |
| Certificate of Analysis | Feb 11, 2025 | C170753 | |
| Certificate of Analysis | Feb 11, 2025 | C170753 | |
| Certificate of Analysis | Feb 11, 2025 | C170753 |
| Molecular Weight | 205.660 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 204.996 Da |
| Monoisotopic Mass | 204.996 Da |
| Topological Polar Surface Area | 68.500 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 247.000 |
| 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 |