CHEBI:94127 - 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]acetic acid

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ChEBI Name 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]acetic acid
ChEBI ID CHEBI:94127
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C15H14FNO5S
Net Charge 0
Average Mass 339.340
Monoisotopic Mass 339.05767
InChI InChI=1S/C15H14FNO5S/c1-17(23(20,21)14-8-2-11(16)3-9-14)12-4-6-13(7-5-12)22-10-15(18)19/h2-9H,10H2,1H3,(H,18,19)
InChIKey CNPBBBPVKAUJTA-UHFFFAOYSA-N
SMILES CN(C1=CC=C(C=C1)OCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)F
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]acetic acid (CHEBI:94127) is a monocarboxylic acid (CHEBI:25384)
Manual Xref Database
LSM-4737 LINCS
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