General Information of the Compound
Compound ID
CP0556719
Compound Name
4-(3-benzylpyridin-2-yl)-N-phenylbenzenesulfonamide
    Show/Hide
Structure
Formula
C24H20N2O2S
Molecular Weight
400.503
Canonical SMILES
O=S(=O)(Nc1ccccc1)c1ccc(cc1)-c1ncccc1Cc1ccccc1
    Show/Hide
InChI
InChI=1S/C24H20N2O2S/c27-29(28,26-22-11-5-2-6-12-22)23-15-13-20(14-16-23)24-21(10-7-17-25-24)18-19-8-3-1-4-9-19/h1-17,26H,18H2
    Show/Hide
InChIKey
DMUATXJZGOPROG-UHFFFAOYSA-N
Physicochemical Property
logP
5.1402
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
59.06
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
29

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 118720913
ChEMBL ID
CHEMBL3355516
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: PT01347, LIM domain kinase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 100 nM
   TI
   LI
   LO
   TS