≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CC(=O)NC4=CC=C(C=C4)S(=O)(=O)N |
|---|---|
| IUPAC Name | 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-sulfamoylphenyl)acetamide |
| InChIKey | AELNACPPUSAYDL-UHFFFAOYSA-N |
| INCHI | 1S/C20H15N3O5S/c21-29(27,28)14-9-7-13(8-10-14)22-17(24)11-23-19(25)15-5-1-3-12-4-2-6-16(18(12)15)20(23)26/h1-10H,11H2,(H,22,24)(H2,21,27,28) |
| Molecular Weight | 409.400 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Isoquinolines and derivatives |
| Subclass | Isoquinolones and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoquinolones and derivatives |
| Alternative Parents | Naphthalenes Benzenesulfonamides Alpha amino acids and derivatives Benzenesulfonyl compounds Anilides N-arylamides Organosulfonamides N-substituted carboxylic acid imides Aminosulfonyl compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isoquinolone - Alpha-amino acid or derivatives - Benzenesulfonamide - Naphthalene - Benzenesulfonyl group - Anilide - N-arylamide - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Benzenoid - Organosulfonic acid amide - Carboxylic acid imide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety. |
| External Descriptors | Not available |
| Molecular Weight | 409.400 g/mol |
|---|---|
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 409.073 Da |
| Monoisotopic Mass | 409.073 Da |
| Topological Polar Surface Area | 135.000 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 754.000 |
| 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 |
![2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-(4-sulfamoylphenyl)acetamide - ≥98% CAS No(496029-14-2) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/D/9/D988409.jpg)