≥98% 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.
| ALogP | 2.16 |
|---|---|
| HBD Count | 2 |
| Rotatable Bond | 5 |
| Pubchem Sid | 488202969 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488202969 |
| Canonical Smiles | CC(=NNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C)C3=C(C=CC(=C3)Cl)O |
| IUPAC Name | N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide |
| InChIKey | MVSQDUZRRVBYLA-HYARGMPZSA-N |
| INCHI | 1S/C20H23ClN4O4S/c1-14(18-13-16(21)6-7-19(18)26)22-23-20(27)15-4-3-5-17(12-15)30(28,29)25-10-8-24(2)9-11-25/h3-7,12-13,26H,8-11H2,1-2H3,(H,23,27)/b22-14+ |
| Isomeric SMILES | C/C(=N\NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C)/C3=C(C=CC(=C3)Cl)O |
| PubChem CID | 135565033 |
| Molecular Weight | 450.94 |
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 | Benzoic acids and derivatives Benzenesulfonyl compounds P-chlorophenols Benzoyl derivatives N-methylpiperazines Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Organosulfonamides Aryl chlorides Sulfonyls Trialkylamines Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzenesulfonamide - Benzenesulfonyl group - Benzoic acid or derivatives - 4-chlorophenol - 4-halophenol - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - N-alkylpiperazine - N-methylpiperazine - Phenol - Halobenzene - Chlorobenzene - Organosulfonic acid amide - Piperazine - 1,4-diazinane - Aryl halide - Aryl chloride - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - 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 |
|---|---|---|---|
 C2625063 | Certificate of Analysis | Apr 06, 2026 | S413599 |
| C2320174 | Certificate of Analysis | Jan 19, 2026 | S413599 |
| C2320175 | Certificate of Analysis | Jan 19, 2026 | S413599 |
| C2320183 | Certificate of Analysis | Jan 19, 2026 | S413599 |
| C2320184 | Certificate of Analysis | Jan 19, 2026 | S413599 |
| C2320211 | Certificate of Analysis | Jan 19, 2026 | S413599 |
| C2320222 | Certificate of Analysis | Jan 19, 2026 | S413599 |
| C2320223 | Certificate of Analysis | Jan 19, 2026 | S413599 |
| C2320225 | Certificate of Analysis | Jan 19, 2026 | S413599 |
| C2320232 | Certificate of Analysis | Jan 19, 2026 | S413599 |
| C2320233 | Certificate of Analysis | Jan 19, 2026 | S413599 |
| C2320235 | Certificate of Analysis | Jan 19, 2026 | S413599 |
| C2320250 | Certificate of Analysis | Jan 19, 2026 | S413599 |
| Solubility | Solubility (25°C) In vitro DMSO: 90 mg/mL (199.58 mM); Water: ˂1 mg/mL Ethanol: ˂1 mg/mL |
|---|---|
| DMSO(mg / mL) Max Solubility | 90 |
| DMSO(mM) Max Solubility | 199.583093094425 |
| Water(mg / mL) Max Solubility | ˂1 |
| Molecular Weight | 450.900 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 450.113 Da |
| Monoisotopic Mass | 450.113 Da |
| Topological Polar Surface Area | 111.000 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 734.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
