CHEBI:94158 - 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetic acid
ChEBI ID CHEBI:94158
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C15H21NO5S
Net Charge 0
Average Mass 327.398
Monoisotopic Mass 327.11404
InChI InChI=1S/C15H21NO5S/c1-11-9-13(7-8-14(11)21-10-15(17)18)22(19,20)16-12-5-3-2-4-6-12/h7-9,12,16H,2-6,10H2,1H3,(H,17,18)
InChIKey FVCGAQUNUPXETK-UHFFFAOYSA-N
SMILES CC1=C(C=CC(=C1)S(=O)(=O)NC2CCCCC2)OCC(=O)O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetic acid (CHEBI:94158) is a monocarboxylic acid (CHEBI:25384)
Manual Xref Database
LSM-4773 LINCS
View more database links