[3-{2-Chloro-4-[(3-fluorobenzyl)sulfonyl]phenoxy}-5-(trifluoromethyl)phenyl]acetic acid

HCID 16123765
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Basic information

Standard SMILES
O=C(O)Cc1cc(Oc2ccc(S(=O)(=O)Cc3cccc(F)c3)cc2Cl)cc(C(F)(F)F)c1
InChIKey
ZGUIAOZRRTXVIG-UHFFFAOYSA-N
Molecular formula
C22H15ClF4O5S
Average molar mass
502.9 g/mol
Monoisotopic mass
502.0264851

Names & identifiers

Preferred name
[3-{2-Chloro-4-[(3-fluorobenzyl)sulfonyl]phenoxy}-5-(trifluoromethyl)phenyl]acetic acid
IUPAC
2-[3-[2-chloro-4-[(3-fluorophenyl)methylsulfonyl]phenoxy]-5-(trifluoromethyl)phenyl]acetic acid

Names & synonyms

[3-{2-chloro-4-[(3-fluorobenzyl)sulfonyl]phenoxy}-5-(trifluoromethyl)phenyl]acetic acidSCHEMBL883852

Database identifiers

PubChem CID
16123765

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
89.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
7
Heavy atoms
33

Related reactions

2 records
New reaction record

Compound notes

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