General Information of the Compound
Compound ID
CP0437525
Compound Name
N-[2-[4-(2-fluorophenyl)phenyl]propyl]methanesulfonamide
    Show/Hide
Structure
Formula
C16H18FNO2S
Molecular Weight
307.39
Canonical SMILES
CC(CNS(C)(=O)=O)c1ccc(cc1)-c1ccccc1F
    Show/Hide
InChI
InChI=1S/C16H18FNO2S/c1-12(11-18-21(2,19)20)13-7-9-14(10-8-13)15-5-3-4-6-16(15)17/h3-10,12,18H,11H2,1-2H3
    Show/Hide
InChIKey
UEECDYGKPOBENA-UHFFFAOYSA-N
Physicochemical Property
logP
3.1454
Rotatable Bonds
5
Heavy Atom Count
21
Polar Areas
46.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 10494940
SID: 15519727
ChEMBL ID
CHEMBL337047
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: PT03593, Glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 19600 nM
   TI
   LI
   LO
   TS