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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 | C1=CC(=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)Cl)N)SC(F)F |
|---|---|
| IUPAC Name | 3-amino-4-chloro-N-[4-(difluoromethylsulfanyl)phenyl]benzenesulfonamide |
| InChIKey | IXYMGKKLPAPPRA-UHFFFAOYSA-N |
| INCHI | 1S/C13H11ClF2N2O2S2/c14-11-6-5-10(7-12(11)17)22(19,20)18-8-1-3-9(4-2-8)21-13(15)16/h1-7,13,18H,17H2 |
| Molecular Weight | 364.800 |
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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 Thiophenol ethers Aniline and substituted anilines Alkylarylthioethers Chlorobenzenes Aryl chlorides Organosulfonamides Aminosulfonyl compounds Sulfenyl compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds Alkyl fluorides Primary amines Organochlorides Organofluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aminobenzenesulfonamide - Sulfanilide - Benzenesulfonyl group - Aryl thioether - Thiophenol ether - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Organosulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Thioether - Sulfenyl compound - Amine - Primary amine - Organosulfur compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxygen 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 | 364.800 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 363.992 Da |
| Monoisotopic Mass | 363.992 Da |
| Topological Polar Surface Area | 106.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 453.000 |
| 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 |