General Information of the Compound
Compound ID
CP0890790
Compound Name
N-(4-Chloro-3-cyanophenyl)-2-(trifluoromethoxy)benzene sulfonamide
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Structure
Formula
C14H8ClF3N2O3S
Molecular Weight
376.743
Canonical SMILES
N#Cc1cc(NS(=O)(=O)c2ccccc2OC(F)(F)F)ccc1Cl
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InChI
InChI=1S/C14H8ClF3N2O3S/c15-11-6-5-10(7-9(11)8-19)20-24(21,22)13-4-2-1-3-12(13)23-14(16,17)18/h1-7,20H
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InChIKey
PCARDARYWKWALU-UHFFFAOYSA-N
Physicochemical Property
logP
3.91108
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
79.19
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 31071578
ChEMBL ID
CHEMBL3947681
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 = 20 nM
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