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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=C2F |
|---|---|
| IUPAC Name | 5-amino-N-(2-fluorophenyl)-2-methylbenzenesulfonamide |
| InChIKey | LVPMQCCUOVKUJA-UHFFFAOYSA-N |
| INCHI | 1S/C13H13FN2O2S/c1-9-6-7-10(15)8-13(9)19(17,18)16-12-5-3-2-4-11(12)14/h2-8,16H,15H2,1H3 |
| Molecular Weight | 280.32 |
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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 | Sulfanilides Benzenesulfonyl compounds Aniline and substituted anilines Aminotoluenes Fluorobenzenes Organosulfonamides Aryl fluorides Aminosulfonyl compounds Primary amines Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aminobenzenesulfonamide - Sulfanilide - Benzenesulfonyl group - Aniline or substituted anilines - Aminotoluene - Fluorobenzene - Halobenzene - Toluene - Aryl fluoride - Aryl halide - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Amine - Organic oxide - Primary amine - Organic oxygen compound - Hydrocarbon derivative - 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 | 280.320 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 280.068 Da |
| Monoisotopic Mass | 280.068 Da |
| Topological Polar Surface Area | 80.600 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 396.000 |
| 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 |