≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,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.
Information
AA41612 is an antagonist of melanopsin-mediated phototransduction.
| Canonical Smiles | COC1=CC(=C(C=C1Cl)S(=O)(=O)N2CCCCC2)Cl |
|---|---|
| IUPAC Name | 1-(2,5-dichloro-4-methoxyphenyl)sulfonylpiperidine |
| InChIKey | FEMVYIQDVGQFBA-UHFFFAOYSA-N |
| INCHI | 1S/C12H15Cl2NO3S/c1-18-11-7-10(14)12(8-9(11)13)19(16,17)15-5-3-2-4-6-15/h7-8H,2-6H2,1H3 |
| Isomeric SMILES | COC1=CC(=C(C=C1Cl)S(=O)(=O)N2CCCCC2)Cl |
| Molecular Weight | 324.22 |
| Reaxy-Rn | 27335154 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27335154&ln= |
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 Phenoxy compounds Methoxybenzenes Dichlorobenzenes Anisoles Alkyl aryl ethers Piperidines Organosulfonamides Aryl chlorides Sulfonyls Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzenesulfonamide - Benzenesulfonyl group - Anisole - 1,4-dichlorobenzene - Phenol ether - Methoxybenzene - Phenoxy compound - Chlorobenzene - Alkyl aryl ether - Halobenzene - Aryl chloride - Organosulfonic acid amide - Piperidine - Aryl halide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organoheterocyclic compound - Azacycle - Ether - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 B2423501 | Certificate of Analysis | Jan 13, 2024 | A412978 |
| B2423502 | Certificate of Analysis | Jan 13, 2024 | A412978 |
| B2423514 | Certificate of Analysis | Jan 13, 2024 | A412978 |
| B2423515 | Certificate of Analysis | Jan 13, 2024 | A412978 |
| B2423516 | Certificate of Analysis | Jan 13, 2024 | A412978 |
| B2423517 | Certificate of Analysis | Jan 13, 2024 | A412978 |
| B2423518 | Certificate of Analysis | Jan 13, 2024 | A412978 |
| B2423519 | Certificate of Analysis | Jan 13, 2024 | A412978 |
| B2423525 | Certificate of Analysis | Jan 13, 2024 | A412978 |
| B2423526 | Certificate of Analysis | Jan 13, 2024 | A412978 |
| Solubility | 60 mg/mL (185.06 mM) |
|---|---|
| Sensitivity | Light sensitive；Moisture sensitive |
| Molecular Weight | 324.200 g/mol |
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 323.015 Da |
| Monoisotopic Mass | 323.015 Da |
| Topological Polar Surface Area | 55.000 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 392.000 |
| 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 |
