≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)N)N3CCCC3 |
|---|---|
| IUPAC Name | 5-amino-N-(2-methoxyphenyl)-2-pyrrolidin-1-ylbenzenesulfonamide |
| InChIKey | PSBGOCIZSKXNGC-UHFFFAOYSA-N |
| INCHI | 1S/C17H21N3O3S/c1-23-16-7-3-2-6-14(16)19-24(21,22)17-12-13(18)8-9-15(17)20-10-4-5-11-20/h2-3,6-9,12,19H,4-5,10-11,18H2,1H3 |
| Isomeric SMILES | COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)N)N3CCCC3 |
| Alternate CAS | 326619-12-9 |
| PubChem CID | 3695295 |
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 | Organoheterocyclic compounds |
| Class | Pyrrolidines |
| Subclass | Phenylpyrrolidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrrolidines |
| Alternative Parents | Aminobenzenesulfonamides Sulfanilides Benzenesulfonyl compounds Methoxyanilines Anisoles Dialkylarylamines Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Organosulfonamides Pyrroles Aminosulfonyl compounds Azacyclic compounds Hydrocarbon derivatives Primary amines Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 1-phenylpyrrolidine - Aminobenzenesulfonamide - Sulfanilide - Benzenesulfonamide - Methoxyaniline - Benzenesulfonyl group - Anisole - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Phenol ether - Phenoxy compound - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Organosulfonic acid amide - Benzenoid - Monocyclic benzene moiety - Aminosulfonyl compound - Pyrrole - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Tertiary amine - Ether - Azacycle - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Primary amine - Amine - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 347.400 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 347.13 Da |
| Monoisotopic Mass | 347.13 Da |
| Topological Polar Surface Area | 93.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 502.000 |
| 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 |
