RefMet Compound Details
RefMet ID, RefMet name, exact mass and formula | ||
RefMet ID | RM0136414 | |
---|---|---|
RefMet name | Dapsone | |
Systematic name | 4-[(4-aminobenzene)sulfonyl]aniline | |
Synonyms | PubChem Synonyms | |
Exact mass | 248.061948 (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 |
Formula | C12H12N2O2S | View other entries in RefMet with this formula |
Molecular descriptors | ||
Molfile | 42651 (Download molfile/View MW Metabolite Database details) | |
InChI | InChI=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 | |
InChIKey | MQJKPEGWNLWLTK-UHFFFAOYSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
SMILES | c1cc(ccc1N)S(=O)(=O)c1ccc(cc1)N
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Chemical/Biochemical Classification | ||
Super Class | Benzenoids | |
Main Class | Benzenes | |
Sub Class | Benzenesulfonyl compounds | |
Distribution of Dapsone in NMDR studies | ||
Species | Plot Species distribution | |
Sample source | Plot Sample source(tissue) distribution | |
Platform | Platform (MS/NMR) used for detection | |
Chromatography | Chromatography methods used for detection | |
Studies | NMDR Studies reporting Dapsone | |
External Links | ||
Pubchem CID | 2955 | |
ChEBI ID | 4325 | |
KEGG ID | C07666 | |
HMDB ID | HMDB0014395 | |
Chemspider ID | 2849 | |
EPA CompTox | DTXCID00371 | |
Spectral data for Dapsone standards | ||
MassBank(EU) | View MS spectra | |
Structural annotation level | ||
Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) |