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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 | CC1=C(C=C(C=C1)N)S(=O)(=O)NC2=CC=CC(=C2)C(F)(F)F |
|---|---|
| IUPAC Name | 5-amino-2-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide |
| InChIKey | FJIZCQVQTSPIPE-UHFFFAOYSA-N |
| INCHI | 1S/C14H13F3N2O2S/c1-9-5-6-11(18)8-13(9)22(20,21)19-12-4-2-3-10(7-12)14(15,16)17/h2-8,19H,18H2,1H3 |
| Molecular Weight | 330.33 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzenesulfonamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aminobenzenesulfonamides |
| Alternative Parents | Trifluoromethylbenzenes Sulfanilides Benzenesulfonyl compounds Aniline and substituted anilines Aminotoluenes Organosulfonamides Aminosulfonyl compounds Primary amines Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aminobenzenesulfonamide - Sulfanilide - Trifluoromethylbenzene - Benzenesulfonyl group - Aminotoluene - Aniline or substituted anilines - Toluene - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Primary amine - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Amine - Hydrocarbon derivative - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 330.330 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 330.065 Da |
| Monoisotopic Mass | 330.065 Da |
| Topological Polar Surface Area | 80.600 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 475.000 |
| 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 |