General Information of the Compound
Compound ID
CP0161803
Compound Name
5-chloro-2-fluoro-4-(oxolan-3-ylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
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Structure
Formula
C13H13ClFN3O3S2
Molecular Weight
377.85
Canonical SMILES
Fc1cc(NC2CCOC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
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InChI
InChI=1S/C13H13ClFN3O3S2/c14-9-5-12(23(19,20)18-13-16-2-4-22-13)10(15)6-11(9)17-8-1-3-21-7-8/h2,4-6,8,17H,1,3,7H2,(H,16,18)
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InChIKey
RUYBNJLLFWMLFN-UHFFFAOYSA-N
Physicochemical Property
logP
2.9372
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
80.32
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
23

"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: 137661762
ChEMBL ID
CHEMBL4097000
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: PT01105, Sodium channel protein type 5 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1400 nM
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