10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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.
pyruvate kinase M2 activator;
| ALogP | 1.522 |
|---|---|
| Rotatable Bond | 4 |
| Canonical Smiles | C1CN(CCN1S(=O)(=O)C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CC(=C4)F |
|---|---|
| IUPAC Name | 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(3-fluorophenyl)sulfonylpiperazine |
| InChIKey | SOEFEUAERZUSNF-UHFFFAOYSA-N |
| INCHI | 1S/C18H19FN2O6S2/c19-14-2-1-3-15(12-14)28(22,23)20-6-8-21(9-7-20)29(24,25)16-4-5-17-18(13-16)27-11-10-26-17/h1-5,12-13H,6-11H2 |
| Isomeric SMILES | C1CN(CCN1S(=O)(=O)C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CC(=C4)F |
| PubChem CID | 2460181 |
| Molecular Weight | 442.48 |
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 | Benzo-1,4-dioxanes Benzenesulfonyl compounds Alkyl aryl ethers Fluorobenzenes Piperazines Para dioxins Organosulfonamides Aryl fluorides Sulfonyls Oxacyclic compounds Azacyclic compounds Organofluorides Organonitrogen compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzenesulfonamide - Benzo-1,4-dioxane - Benzodioxane - Benzenesulfonyl group - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - 1,4-diazinane - Organosulfonic acid amide - Piperazine - Para-dioxin - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Oxacycle - Azacycle - Ether - Organoheterocyclic compound - Organosulfur compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen 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 |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| DMSO(mM) Max Solubility | 10 |
|---|---|
| Molecular Weight | 442.500 g/mol |
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 442.067 Da |
| Monoisotopic Mass | 442.067 Da |
| Topological Polar Surface Area | 110.000 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 773.000 |
| 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 |
