≥95% 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.
| Sonrisas canónicas | C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 3-(1H-indol-3-yl)-2-[(4-nitrophenyl)sulfonylamino]propanoic acid |
| InChIKey | KJJXWLQWLLITGC-UHFFFAOYSA-N |
| INCHI | 1S/C17H15N3O6S/c21-17(22)16(9-11-10-18-15-4-2-1-3-14(11)15)19-27(25,26)13-7-5-12(6-8-13)20(23)24/h1-8,10,16,18-19H,9H2,(H,21,22) |
| Peso molecular | 389.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzenesulfonamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonamides |
| Alternative Parents | 3-alkylindoles Alpha amino acids and derivatives Benzenesulfonyl compounds Nitrobenzenes Nitroaromatic compounds Substituted pyrroles Organosulfonamides Aminosulfonyl compounds Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alpha-amino acid or derivatives - Benzenesulfonamide - 3-alkylindole - Indole - Indole or derivatives - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Substituted pyrrole - Organosulfonic acid amide - Heteroaromatic compound - Pyrrole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Organic oxoazanium - Monocarboxylic acid or derivatives - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring. |
| External Descriptors | Not available |
| Peso molecular | 389.400 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 389.068 Da |
| Monoisotopic Mass | 389.068 Da |
| Topological Polar Surface Area | 153.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 651.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
