RefMet Compound Details

Created with Raphaƫl 2.1.0SOONH2NH2
RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0136414
RefMet nameDapsone
Systematic name4-[(4-aminobenzene)sulfonyl]aniline
SynonymsPubChem Synonyms
Exact mass248.061948 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC12H12N2O2SView other entries in RefMet with this formula
Molecular descriptors
Molfile42651 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2
InChIKeyMQJKPEGWNLWLTK-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESc1cc(ccc1N)S(=O)(=O)c1ccc(cc1)N
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassBenzenoids
Main ClassBenzenes
Sub ClassBenzenesulfonyl compounds
Distribution of Dapsone in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting Dapsone
External Links
Pubchem CID2955
ChEBI ID4325
KEGG IDC07666
HMDB IDHMDB0014395
Chemspider ID2849
EPA CompToxDTXCID00371
Spectral data for Dapsone standards
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo