≥95% 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 | COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C(=O)O |
|---|---|
| IUPAC Name | 3-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]benzoic acid |
| InChIKey | ZBKATECYZDJGSI-UHFFFAOYSA-N |
| INCHI | 1S/C20H17NO5S/c1-26-18-9-5-14(6-10-18)15-7-11-19(12-8-15)27(24,25)21-17-4-2-3-16(13-17)20(22)23/h2-13,21H,1H3,(H,22,23) |
| Isomeric SMILES | COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C(=O)O |
| PubChem CID | 44669193 |
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 | Biphenyls and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Biphenyls and derivatives |
| Alternative Parents | Sulfanilides Benzenesulfonamides Benzoic acids Benzenesulfonyl compounds Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Organosulfonamides Aminosulfonyl compounds Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Biphenyl - Benzenesulfonamide - Sulfanilide - Benzoic acid or derivatives - Benzoic acid - Benzenesulfonyl group - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Ether - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond. |
| External Descriptors | Not available |
| Molecular Weight | 383.400 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 383.083 Da |
| Monoisotopic Mass | 383.083 Da |
| Topological Polar Surface Area | 101.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 586.000 |
| 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 |
