CHEBI:194261 - N1-prop-2-ynyl-2,5-di(2,2,2-trifluoroethoxy)benzene-1-sulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name N1-prop-2-ynyl-2,5-di(2,2,2-trifluoroethoxy)benzene-1-sulfonamide
ChEBI ID CHEBI:194261
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H11F6NO4S
Net Charge 0
Average Mass 391.280
Monoisotopic Mass 391.03130
InChI InChI=1S/C13H11F6NO4S/c1-2-5-20-25(21,22)11-6-9(23-7-12(14,15)16)3-4-10(11)24-8-13(17,18)19/h1,3-4,6,20H,5,7-8H2
InChIKey MNTDOTXFGJPYKQ-UHFFFAOYSA-N
SMILES S(=O)(=O)(NCC#C)C1=C(OCC(F)(F)F)C=CC(OCC(F)(F)F)=C1
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in peripheral blood mononuclear cell (BTO:0001025). See: MetaboLights Study
ChEBI Ontology
Outgoing N1-prop-2-ynyl-2,5-di(2,2,2-trifluoroethoxy)benzene-1-sulfonamide (CHEBI:194261) is a sulfonamide (CHEBI:35358)
IUPAC Name
N-prop-2-ynyl-2,5-bis(2,2,2-triluoroethoxy)benzenesulonamide
Manual Xref Database
2084555 ChemSpider
View more database links