General Information of the Compound
Compound ID
CP0494507
Compound Name
4-fluoro-N-(2,4,6-trimethylphenyl)benzenesulfonamide
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Structure
Formula
C15H16FNO2S
Molecular Weight
293.363
Canonical SMILES
Cc1cc(C)c(NS(=O)(=O)c2ccc(F)cc2)c(C)c1
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InChI
InChI=1S/C15H16FNO2S/c1-10-8-11(2)15(12(3)9-10)17-20(18,19)14-6-4-13(16)5-7-14/h4-9,17H,1-3H3
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InChIKey
OHWQFHNXCYMDCP-UHFFFAOYSA-N
Physicochemical Property
logP
3.55176
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
46.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
20

"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: 3518281
ChEMBL ID
CHEMBL3311317
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: PT04427, Free fatty acid receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 = 6309.57 nM
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