≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 | CCS(=O)(=O)C1=C(C=C(C=C1)S(=O)(=O)NC)NC2=NC=NC(=C2)NC3=NC=C(C=C3)Cl |
|---|---|
| IUPAC Name | 3-[[6-[(5-chloropyridin-2-yl)amino]pyrimidin-4-yl]amino]-4-ethylsulfonyl-N-methylbenzenesulfonamide |
| InChIKey | OEDGERSSZUMLBI-UHFFFAOYSA-N |
| INCHI | 1S/C18H19ClN6O4S2/c1-3-30(26,27)15-6-5-13(31(28,29)20-2)8-14(15)24-17-9-18(23-11-22-17)25-16-7-4-12(19)10-21-16/h4-11,20H,3H2,1-2H3,(H2,21,22,23,24,25) |
| Isomeric SMILES | CCS(=O)(=O)C1=C(C=C(C=C1)S(=O)(=O)NC)NC2=NC=NC(=C2)NC3=NC=C(C=C3)Cl |
| PubChem CID | 68304261 |
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 | Benzenesulfonyl compounds Aniline and substituted anilines Aminopyridines and derivatives Aminopyrimidines and derivatives Organosulfonamides Aryl chlorides Imidolactams Sulfones Aminosulfonyl compounds Heteroaromatic compounds Azacyclic compounds Organic oxides Organochlorides Amines Hydrocarbon derivatives Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzenesulfonamide - Benzenesulfonyl group - Aniline or substituted anilines - Aminopyrimidine - Aminopyridine - Aryl halide - Pyridine - Pyrimidine - Imidolactam - Organosulfonic acid amide - Aryl chloride - Heteroaromatic compound - Sulfone - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic heteromonocyclic 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 | 483.000 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 8 |
| Exact Mass | 482.06 Da |
| Monoisotopic Mass | 482.06 Da |
| Topological Polar Surface Area | 160.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 788.000 |
| 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 |
