≥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 | C1CCN(C1)C(=O)C2=CC(=C(C=C2)N)CS(=O)(=O)C3=CC=C(C=C3)Cl |
|---|---|
| IUPAC Name | [4-amino-3-[(4-chlorophenyl)sulfonylmethyl]phenyl]-pyrrolidin-1-ylmethanone |
| InChIKey | MBDZPQDAUFLSMZ-UHFFFAOYSA-N |
| INCHI | 1S/C18H19ClN2O3S/c19-15-4-6-16(7-5-15)25(23,24)12-14-11-13(3-8-17(14)20)18(22)21-9-1-2-10-21/h3-8,11H,1-2,9-10,12,20H2 |
| Isomeric SMILES | C1CCN(C1)C(=O)C2=CC(=C(C=C2)N)CS(=O)(=O)C3=CC=C(C=C3)Cl |
| PubChem CID | 1486841 |
| Molecular Weight | 378.88 |
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 | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Aminobenzoic acids and derivatives |
| Direct Parent | Aminobenzamides |
| Alternative Parents | Benzamides Benzenesulfonyl compounds Aniline and substituted anilines N-acylpyrrolidines Benzoyl derivatives Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Sulfones Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds Organopnictogen compounds Primary amines |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aminobenzamide - Benzamide - Benzenesulfonyl group - Benzoyl - Aniline or substituted anilines - N-acylpyrrolidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Tertiary carboxylic acid amide - Sulfonyl - Sulfone - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Primary amine - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aminobenzamides. These are organic compounds containing a benzamide moiety with an amine group attached to the benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 378.900 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 378.08 Da |
| Monoisotopic Mass | 378.08 Da |
| Topological Polar Surface Area | 88.900 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 563.000 |
| 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-Amino-3-{[(4-chlorophenyl)sulfonyl]methyl}phenyl)(1-pyrrolidinyl)methanone - ≥90% CAS No(339101-80-3) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/A/9/A965469.jpg)