General Information of the Compound
Compound ID
CP0274171
Compound Name
2-(4-chlorophenoxy)-2-methyl-N-methylsulfonylpropanamide
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Structure
Formula
C11H14ClNO4S
Molecular Weight
291.756
Canonical SMILES
CC(C)(Oc1ccc(Cl)cc1)C(=O)NS(C)(=O)=O
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InChI
InChI=1S/C11H14ClNO4S/c1-11(2,10(14)13-18(3,15)16)17-9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H,13,14)
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InChIKey
PKBSISADKJRKHT-UHFFFAOYSA-N
Physicochemical Property
logP
1.5732
Rotatable Bonds
4
Heavy Atom Count
18
Polar Areas
72.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
18

"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: 71458513
SID: 163539611
ChEMBL ID
CHEMBL2153840
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: PT00910, Peroxisome proliferator-activated receptor alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000050 HEK293-A Homo sapiens (Human)  1
1
EC50 = 10700 nM
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