General Information of the Compound
Compound ID
CP0379657
Compound Name
4-[(4-fluorophenyl)methyl-(2-fluorophenyl)sulfonylamino]benzamide
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Structure
Formula
C20H16F2N2O3S
Molecular Weight
402.422
Canonical SMILES
NC(=O)c1ccc(cc1)N(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1F
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InChI
InChI=1S/C20H16F2N2O3S/c21-16-9-5-14(6-10-16)13-24(17-11-7-15(8-12-17)20(23)25)28(26,27)19-4-2-1-3-18(19)22/h1-12H,13H2,(H2,23,25)
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InChIKey
RJGXILPGUGXXBG-UHFFFAOYSA-N
Physicochemical Property
logP
3.4592
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
80.47
Hydrogen Bond Donor Count
1
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: 76321969
ChEMBL ID
CHEMBL3127405
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: PT02768, Potassium voltage-gated channel subfamily A member 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 2200 nM
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