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CHEBI:64490 - 4-nitrosobenzenesulfonamide

Default Structure
ChEBI IDCHEBI:64490
ChEBI Name4-nitrosobenzenesulfonamide
Stars
DefinitionA sulfonamide that is benzenesulfonamide bearing a nitroso substituent at position 4.
Last Modified12 March 2019
SubmitterSteve
DownloadsMolfile
FormulaC6H6N2O3S
Net Charge0
Average Mass186.192
Monoisotopic Mass186.00991
SMILESNS(=O)(=O)c1ccc(N=O)cc1
InChIInChI=1S/C6H6N2O3S/c7-12(10,11)6-3-1-5(8-9)2-4-6/h1-4H,(H2,7,10,11)
InChIKeyNMCOEEKSSIVNAX-UHFFFAOYSA-N
Roles Classification
Biological Roles:
allergen  A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
hapten  Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
ChEBI Ontology
Outgoing Relation(s)
4-nitrosobenzenesulfonamide (CHEBI:64490) has role allergen (CHEBI:50904)
4-nitrosobenzenesulfonamide (CHEBI:64490) has role hapten (CHEBI:59174)
4-nitrosobenzenesulfonamide (CHEBI:64490) is a nitroso compound (CHEBI:35800)
4-nitrosobenzenesulfonamide (CHEBI:64490) is a sulfonamide (CHEBI:35358)
IUPAC Name 
4-nitrosobenzenesulfonamide
Registry NumbersSources
Reaxys:2692516Reaxys
Citations