L-hydroxyproline has been derivatized with N-acetylsulfanilyl chloride and 5-chlorovaleric acid during the synthesis of the haptens HP1 and HP2.
| Canonical Smiles | CC(=O)NC1=CC=C(C=C1)S(=O)(=O)Cl |
|---|---|
| IUPAC Name | 4-acetamidobenzenesulfonyl chloride |
| InChIKey | GRDXCFKBQWDAJH-UHFFFAOYSA-N |
| INCHI | 1S/C8H8ClNO3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11) |
| Isomeric SMILES | CC(=O)NC1=CC=C(C=C1)S(=O)(=O)Cl |
| WGK Germany | 3 |
| RTECS | DB8837500 |
| Molecular Weight | 233.67 |
| Beilstein | 746676 |
| Reaxy-Rn | 746676 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=746676&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 | Anilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Acetanilides |
| Alternative Parents | Benzenesulfonyl chlorides N-acetylarylamines Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Acetamides Secondary carboxylic acid amides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Acetanilide - Benzenesulfonyl chloride - Benzenesulfonyl group - N-acetylarylamine - N-arylamide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl chloride - Sulfonyl halide - Sulfonyl - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carbonyl group - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as acetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl 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 |
|---|---|---|---|
 L2115300 | Certificate of Analysis | Sep 24, 2025 | N141157 |
| L2115308 | Certificate of Analysis | Sep 24, 2025 | N141157 |
| A2628093 | Certificate of Analysis | Dec 26, 2024 | N141157 |
| L2419138 | Certificate of Analysis | Dec 26, 2024 | N141157 |
| L2023088 | Certificate of Analysis | Oct 12, 2024 | N141157 |
| L2023087 | Certificate of Analysis | Oct 12, 2024 | N141157 |
| L2023086 | Certificate of Analysis | Oct 12, 2024 | N141157 |
| K1915201 | Certificate of Analysis | Sep 11, 2023 | N141157 |
| C23211094 | Certificate of Analysis | Nov 15, 2021 | N141157 |
| F2419018 | Certificate of Analysis | Nov 15, 2021 | N141157 |
| F2520066 | Certificate of Analysis | Nov 15, 2021 | N141157 |
| Solubility | It is slightly in water. But soluble in benzene, chloroform and ether. |
|---|---|
| Sensitivity | Moisture sensitive |
| Melt Point(°C) | 145-148℃ |
| Molecular Weight | 233.670 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 232.991 Da |
| Monoisotopic Mass | 232.991 Da |
| Topological Polar Surface Area | 71.600 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 301.000 |
| 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 |
