General Information of the Compound
Compound ID
CP0426677
Compound Name
N-benzyl-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]benzenesulfonamide
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Structure
Formula
C19H14ClF3N2O2S
Molecular Weight
426.847
Canonical SMILES
FC(F)(F)c1cnc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(Cl)c1
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InChI
InChI=1S/C19H14ClF3N2O2S/c20-17-11-15(19(21,22)23)12-24-18(17)25(13-14-7-3-1-4-8-14)28(26,27)16-9-5-2-6-10-16/h1-12H,13H2
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InChIKey
YIXMUAOMXLAEIN-UHFFFAOYSA-N
Physicochemical Property
logP
5.1493
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
50.27
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
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: 2800731
SID: 103056459
ChEMBL ID
CHEMBL3353569
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: PT03065, Transient receptor potential cation channel subfamily M member 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 183 nM
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