General Information of the Compound
Compound ID
CP0142504
Compound Name
2,4-dichloro-N-[3-chloro-4-(5-chloropyridin-3-yl)oxy-5-fluorophenyl]benzenesulfonamide
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Structure
Formula
C17H9Cl4FN2O3S
Molecular Weight
482.147
Canonical SMILES
Fc1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1Oc1cncc(Cl)c1
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InChI
InChI=1S/C17H9Cl4FN2O3S/c18-9-1-2-16(13(20)4-9)28(25,26)24-11-5-14(21)17(15(22)6-11)27-12-3-10(19)7-23-8-12/h1-8,24H
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InChIKey
QETXNFTVAKZKBG-UHFFFAOYSA-N
Physicochemical Property
logP
6.4274
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
68.29
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
28

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 10116787
SID: 15105448
ChEMBL ID
CHEMBL2331771
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 20 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 18 nM