≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 | CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C(=O)NC=C3Br |
|---|---|
| IUPAC Name | 4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one |
| InChIKey | IUXIDYNEPFEKIS-UHFFFAOYSA-N |
| INCHI | 1S/C14H11BrN2O3S/c1-9-2-4-10(5-3-9)21(19,20)17-7-6-11-12(15)8-16-14(18)13(11)17/h2-8H,1H3,(H,16,18) |
| Isomeric SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C(=O)NC=C3Br |
| PubChem CID | 89657580 |
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 | Benzenesulfonamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonamides |
| Alternative Parents | Tosyl compounds Pyrrolopyridines Benzenesulfonyl compounds Pyridinones Substituted pyrroles Aryl bromides Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds Organooxygen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzenesulfonamide - Tosyl compound - Benzenesulfonyl group - Pyrrolopyridine - Pyridinone - Toluene - Aryl bromide - Aryl halide - Pyridine - Substituted pyrrole - Heteroaromatic compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrole - Lactam - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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 | 367.220 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 365.967 Da |
| Monoisotopic Mass | 365.967 Da |
| Topological Polar Surface Area | 76.600 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 561.000 |
| 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 |
![4-bromo-1-(4-methylbenzenesulfonyl)-1H,6H,7H-pyrrolo[2,3-c]pyridin-7-one - ≥97% CAS No(1445993-86-1) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/B/6/B682856.jpg)