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 | CC(=O)NC1=CC(=CC(=C1O)N)S(=O)(=O)O |
|---|---|
| IUPAC Name | 3-acetamido-5-amino-4-hydroxybenzenesulfonic acid |
| InChIKey | SFUJTLIHMWZDTL-UHFFFAOYSA-N |
| INCHI | 1S/C8H10N2O5S/c1-4(11)10-7-3-5(16(13,14)15)2-6(9)8(7)12/h2-3,12H,9H2,1H3,(H,10,11)(H,13,14,15) |
| Isomeric SMILES | CC(=O)NC1=CC(=CC(=C1O)N)S(=O)(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 246.24 |
| Reaxy-Rn | 3344718 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3344718&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Acetanilides |
| Alternative Parents | Benzenesulfonic acids and derivatives N-acetylarylamines Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds o-Aminophenols Aniline and substituted anilines Sulfonyls Organosulfonic acids Acetamides Secondary carboxylic acid amides Amino acids and derivatives Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzenesulfonate - Acetanilide - N-acetylarylamine - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - O-aminophenol - Aniline or substituted anilines - N-arylamide - Aminophenol - Phenol - Acetamide - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - 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 |
| Molecular Weight | 246.240 g/mol |
|---|---|
| XLogP3 | -1.200 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 246.031 Da |
| Monoisotopic Mass | 246.031 Da |
| Topological Polar Surface Area | 138.000 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 363.000 |
| 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 |
