General Information of the Compound
Compound ID
CP0897974
Compound Name
4-(4-cyano-3-fluorophenoxy)-N-(5-fluoropyridin-2-yl)benzenesulfonamide
    Show/Hide
Structure
Formula
C18H11F2N3O3S
Molecular Weight
387.367
Canonical SMILES
N#Cc1ccc(Oc2ccc(S(=O)(=O)Nc3ccc(F)cn3)cc2)cc1F
    Show/Hide
InChI
InChI=1S/C18H11F2N3O3S/c19-13-2-8-18(22-11-13)23-27(24,25)16-6-4-14(5-7-16)26-15-3-1-12(10-21)17(20)9-15/h1-9,11H,(H,22,23)
    Show/Hide
InChIKey
RUNGTYSIBJACEC-UHFFFAOYSA-N
Physicochemical Property
logP
3.82458
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
92.08
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 134136397
ChEMBL ID
CHEMBL3893511
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: PT03073, Solute carrier family 22 member 12
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 88 nM
   TI
   LI
   LO
   TS