≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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.
zinc metalloenzyme modulators （hCA II and HDAC1 modulator）
| ALogP | 3.209 |
|---|---|
| HBD Count | 2 |
| Rotatable Bond | 3 |
| Pubchem Sid | 504760231 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504760231 |
| Canonical Smiles | CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=NC3=CC=CC=C3S2 |
| IUPAC Name | 1-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylurea |
| InChIKey | QBCQRNFZSOLOGV-UHFFFAOYSA-N |
| INCHI | 1S/C15H13N3O3S2/c1-10-6-8-11(9-7-10)23(20,21)18-14(19)17-15-16-12-4-2-3-5-13(12)22-15/h2-9H,1H3,(H2,16,17,18,19) |
| Isomeric SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=NC3=CC=CC=C3S2 |
| PubChem CID | 820999 |
| Molecular Weight | 347.41202 |
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 Benzothiazoles Benzenesulfonyl compounds Sulfonylureas Thiazoles Organosulfonic acids and derivatives Heteroaromatic compounds Aminosulfonyl compounds Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzenesulfonamide - Tosyl compound - 1,3-benzothiazole - Benzenesulfonyl group - Sulfonylurea - Toluene - Azole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Thiazole - Aminosulfonyl compound - Heteroaromatic compound - Carbonic acid derivative - Organoheterocyclic compound - Azacycle - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic 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 |
|---|---|---|---|
 C2306095 | Certificate of Analysis | Dec 12, 2025 | S418291 |
| C2306106 | Certificate of Analysis | Dec 12, 2025 | S418291 |
| C2306185 | Certificate of Analysis | Dec 12, 2025 | S418291 |
| C2306402 | Certificate of Analysis | Dec 12, 2025 | S418291 |
| C2306438 | Certificate of Analysis | Dec 12, 2025 | S418291 |
| C2306460 | Certificate of Analysis | Dec 12, 2025 | S418291 |
| DMSO(mM) Max Solubility | 10 |
|---|---|
| Molecular Weight | 347.400 g/mol |
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 347.04 Da |
| Monoisotopic Mass | 347.04 Da |
| Topological Polar Surface Area | 125.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 527.000 |
| 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 |
