Metabolomics Structure Database

 
MW REGNO: 42651
Common Name:Dapsone
Systematic Name:4-[(4-aminobenzene)sulfonyl]aniline
RefMet Name:Dapsone
Synonyms: [PubChem Synonyms]
Exact Mass:
248.0619 (neutral)    Calculate m/z:
Formula:C12H12N2O2S
InChIKey:MQJKPEGWNLWLTK-UHFFFAOYSA-N
ClassyFire superclass:Benzenoids [C0002448]
ClassyFire class:Benzene and substituted derivatives [C0002279]
ClassyFire subclass:Benzenesulfonyl compounds [C0004233]
ClassyFire direct parent:Benzenesulfonyl compounds [C0004233]
Massbank MS spectra:View MS spectra
SMILES:Nc1ccc(cc1)S(=O)(=O)c1ccc(N)cc1
Studies:Available studies (via RefMet name)

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References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

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