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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=CC2=C(N1S(=O)(=O)C3=CC=CC=C3)C=C(C=C2)I |
|---|---|
| IUPAC Name | 1-(benzenesulfonyl)-6-iodo-2-methylindole |
| InChIKey | WAAJUAMRMKSCBU-UHFFFAOYSA-N |
| INCHI | 1S/C15H12INO2S/c1-11-9-12-7-8-13(16)10-15(12)17(11)20(18,19)14-5-3-2-4-6-14/h2-10H,1H3 |
| Isomeric SMILES | CC1=CC2=C(N1S(=O)(=O)C3=CC=CC=C3)C=C(C=C2)I |
| PubChem CID | 118998378 |
| Molecular Weight | 397.231 |
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 | Benzenesulfonamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonamides |
| Alternative Parents | Indoles and derivatives Substituted pyrroles Sulfonyls Pyrrolines Organosulfonic acids and derivatives Heteroaromatic compounds Vinyl iodides Iodoalkenes Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzenesulfonamide - Indole or derivatives - Substituted pyrrole - Heteroaromatic compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrroline - Azacycle - Iodoalkene - Haloalkene - Organoheterocyclic compound - Vinyl iodide - Vinyl halide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | 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 |
| Molecular Weight | 397.200 g/mol |
|---|---|
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 396.963 Da |
| Monoisotopic Mass | 396.963 Da |
| Topological Polar Surface Area | 47.500 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 441.000 |
| 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 |