≥98% 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 | B1(OC(C(O1)(C)C)(C)C)C2=CN(C=C2)S(=O)(=O)C3=CC=C(C=C3)C |
|---|---|
| IUPAC Name | 1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole |
| InChIKey | GNMRYBQNNQYUDW-UHFFFAOYSA-N |
| INCHI | 1S/C17H22BNO4S/c1-13-6-8-15(9-7-13)24(20,21)19-11-10-14(12-19)18-22-16(2,3)17(4,5)23-18/h6-12H,1-5H3 |
| Isomeric SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CN(C=C2)S(=O)(=O)C3=CC=C(C=C3)C |
| PubChem CID | 53216798 |
| Molecular Weight | 347.2 |
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 | Tosyl compounds Benzenesulfonyl compounds Substituted pyrroles Sulfonyls Boronic acid esters Dioxaborolanes Heteroaromatic compounds Organosulfonic acids and derivatives Organic metalloid salts Azacyclic compounds Oxacyclic compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzenesulfonamide - Tosyl compound - Benzenesulfonyl group - Toluene - Substituted pyrrole - Boronic acid ester - 1,3,2-dioxaborolane - Pyrrole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Boronic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen 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 | 347.200 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 347.136 Da |
| Monoisotopic Mass | 347.136 Da |
| Topological Polar Surface Area | 65.900 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 548.000 |
| 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 |
