≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | C1CN(CCC1(CSC2=CC=C(C=C2)F)O)S(=O)(=O)C3=CC=CC=C3 |
|---|---|
| IUPAC Name | 1-(benzenesulfonyl)-4-[(4-fluorophenyl)sulfanylmethyl]piperidin-4-ol |
| InChIKey | PNTYXZGREWTUFY-UHFFFAOYSA-N |
| INCHI | 1S/C18H20FNO3S2/c19-15-6-8-16(9-7-15)24-14-18(21)10-12-20(13-11-18)25(22,23)17-4-2-1-3-5-17/h1-9,21H,10-14H2 |
| Isomeric SMILES | C1CN(CCC1(CSC2=CC=C(C=C2)F)O)S(=O)(=O)C3=CC=CC=C3 |
| PubChem CID | 3750790 |
| Molecular Weight | 381.49 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 | Benzenesulfonyl compounds Thiophenol ethers Fluorobenzenes Alkylarylthioethers Piperidines Organosulfonamides Aryl fluorides Tertiary alcohols Sulfonyls Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzenesulfonamide - Benzenesulfonyl group - Aryl thioether - Thiophenol ether - Fluorobenzene - Halobenzene - Alkylarylthioether - Aryl fluoride - Aryl halide - Piperidine - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Tertiary alcohol - Sulfonyl - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic nitrogen compound - Organic oxygen 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 | 381.500 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 381.087 Da |
| Monoisotopic Mass | 381.087 Da |
| Topological Polar Surface Area | 91.300 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 515.000 |
| 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-{[(4-Fluorophenyl)sulfanyl]methyl}-1-(phenylsulfonyl)-4-piperidinol - ≥90% , CAS No.478041-56-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)