General Information of the Compound
Compound ID
CP0556308
Compound Name
4-[benzyl-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfamoyl]benzamide
    Show/Hide
Structure
Formula
C20H15ClF3N3O3S
Molecular Weight
469.872
Canonical SMILES
NC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ncc(cc1Cl)C(F)(F)F
    Show/Hide
InChI
InChI=1S/C20H15ClF3N3O3S/c21-17-10-15(20(22,23)24)11-26-19(17)27(12-13-4-2-1-3-5-13)31(29,30)16-8-6-14(7-9-16)18(25)28/h1-11H,12H2,(H2,25,28)
    Show/Hide
InChIKey
RRRCPKHCAXKRRV-UHFFFAOYSA-N
Physicochemical Property
logP
4.2482
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
93.36
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 49783874
SID: 103056460
ChEMBL ID
CHEMBL3353574
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 = 70 nM
   TI
   LI
   LO
   TS