General Information of the Compound
Compound ID
CP0494330
Compound Name
N-[2-[4-(2-fluorophenyl)phenyl]ethyl]propane-2-sulfonamide
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Structure
Formula
C17H20FNO2S
Molecular Weight
321.417
Canonical SMILES
CC(C)S(=O)(=O)NCCc1ccc(cc1)-c1ccccc1F
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InChI
InChI=1S/C17H20FNO2S/c1-13(2)22(20,21)19-12-11-14-7-9-15(10-8-14)16-5-3-4-6-17(16)18/h3-10,13,19H,11-12H2,1-2H3
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InChIKey
LTLQGMJEBFLNOB-UHFFFAOYSA-N
Physicochemical Property
logP
3.363
Rotatable Bonds
6
Heavy Atom Count
22
Polar Areas
46.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 10567789
SID: 15595707
ChEMBL ID
CHEMBL137359
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 = 7200 nM
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