≥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.
inhibition effect on apical sodium-dependent bile acid transporter (ASBT) in cell level; PPAR agonist;
| ALogP | 1.841 |
|---|---|
| Nombre de HBD | 1 |
| Liaison rotative | 5 |
| Pubchem Sid | 488194296 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488194296 |
| Sourires canoniques | C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-] |
| IUPAC Name | 4-[(3-nitrophenyl)sulfonylamino]benzoic acid |
| InChIKey | CXOGYGMKNVZTHS-UHFFFAOYSA-N |
| INCHI | 1S/C13H10N2O6S/c16-13(17)9-4-6-10(7-5-9)14-22(20,21)12-3-1-2-11(8-12)15(18)19/h1-8,14H,(H,16,17) |
| Isomères SMILES | C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-] |
| PubChem CID | 3091374 |
| Poids moléculaire | 322.29 |
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 |
| Classe | Benzene and substituted derivatives |
| Subclass | Sulfanilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Sulfanilides |
| Alternative Parents | Benzenesulfonamides Benzenesulfonyl compounds Benzoic acids Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Organosulfonamides Aminosulfonyl compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Organic oxoazanium compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds Organic salts Organic cations |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzenesulfonamide - Sulfanilide - Benzoic acid or derivatives - Benzoic acid - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Benzoyl - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Carboxylic acid - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Organic salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1. |
| 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 | Article |
|---|---|---|---|
 E2310315 | Certificate of Analysis | Feb 04, 2026 | W417983 |
| E2310318 | Certificate of Analysis | Feb 04, 2026 | W417983 |
| E2310320 | Certificate of Analysis | Feb 04, 2026 | W417983 |
| E2310322 | Certificate of Analysis | Feb 04, 2026 | W417983 |
| E2310330 | Certificate of Analysis | Feb 04, 2026 | W417983 |
| E2310331 | Certificate of Analysis | Feb 04, 2026 | W417983 |
| E2310411 | Certificate of Analysis | Feb 04, 2026 | W417983 |
| E2310415 | Certificate of Analysis | Feb 04, 2026 | W417983 |
| E2310425 | Certificate of Analysis | Feb 04, 2026 | W417983 |
| E2310428 | Certificate of Analysis | Feb 04, 2026 | W417983 |
| DMSO (mM) Solubilité maximale | 10 |
|---|---|
| Poids moléculaire | 322.300 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 322.026 Da |
| Monoisotopic Mass | 322.026 Da |
| Topological Polar Surface Area | 138.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 516.000 |
| 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 |
