EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:109409 - 3-(tert-butylsulfamoyl)-4-phenyl-5-(trifluoromethyl)-2-thiophenecarboxylic acid methyl ester

ChEBI IDCHEBI:109409
ChEBI Name3-(tert-butylsulfamoyl)-4-phenyl-5-(trifluoromethyl)-2-thiophenecarboxylic acid methyl ester
Stars
DownloadsMolfile
FormulaC17H18F3NO4S2
Net Charge0
Average Mass421.462
Monoisotopic Mass421.06293
SMILESCOC(=O)c1sc(C(F)(F)F)c(-c2ccccc2)c1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C17H18F3NO4S2/c1-16(2,3)21-27(23,24)13-11(10-8-6-5-7-9-10)14(17(18,19)20)26-12(13)15(22)25-4/h5-9,21H,1-4H3
InChIKeyIUTYZZXGSSUDQE-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-(tert-butylsulfamoyl)-4-phenyl-5-(trifluoromethyl)-2-thiophenecarboxylic acid methyl ester (CHEBI:109409) is a thiophenecarboxylic acid (CHEBI:48436)
Manual XrefsDatabases
LSM-20807LINCS