≥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 | C1=CC=C(C=C1)CN(C2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)O |
|---|---|
| IUPAC Name | 5-[benzyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-2-chlorobenzoic acid |
| InChIKey | XOROSUTXJXIDKX-UHFFFAOYSA-N |
| INCHI | 1S/C21H15ClF3NO4S/c22-19-10-9-17(12-18(19)20(27)28)31(29,30)26(13-14-5-2-1-3-6-14)16-8-4-7-15(11-16)21(23,24)25/h1-12H,13H2,(H,27,28) |
| Molecular Weight | 469.9 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Sulfanilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Sulfanilides |
| Alternative Parents | Trifluoromethylbenzenes 2-halobenzoic acids Benzenesulfonamides Halobenzoic acids Benzenesulfonyl compounds Benzoic acids 1-carboxy-2-haloaromatic compounds Benzoyl derivatives Chlorobenzenes Organosulfonamides Aryl chlorides Vinylogous halides Aminosulfonyl compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organonitrogen compounds Alkyl fluorides Organooxygen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Sulfanilide - 2-halobenzoic acid or derivatives - Benzenesulfonamide - Trifluoromethylbenzene - Halobenzoic acid or derivatives - 2-halobenzoic acid - Halobenzoic acid - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoic acid - 1-carboxy-2-haloaromatic compound - Benzoyl - Chlorobenzene - Halobenzene - Aryl halide - Organosulfonic acid amide - Aryl chloride - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Alkyl halide - Alkyl fluoride - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - 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 |
| Molecular Weight | 469.900 g/mol |
|---|---|
| XLogP3 | 5.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 469.036 Da |
| Monoisotopic Mass | 469.036 Da |
| Topological Polar Surface Area | 83.100 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 721.000 |
| 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 |
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