General Information of the Compound
Compound ID
CP0568649
Compound Name
4-[2-(fluoromethoxy)phenyl]benzenesulfonamide
    Show/Hide
Structure
Formula
C13H12FNO3S
Molecular Weight
281.308
Canonical SMILES
NS(=O)(=O)c1ccc(cc1)-c1ccccc1OCF
    Show/Hide
InChI
InChI=1S/C13H12FNO3S/c14-9-18-13-4-2-1-3-12(13)10-5-7-11(8-6-10)19(15,16)17/h1-8H,9H2,(H2,15,16,17)
    Show/Hide
InChIKey
WNZMYICAIWYVGX-UHFFFAOYSA-N
Physicochemical Property
logP
2.3068
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
69.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 168291403
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: PT01195, D(1A) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000074 SK-N-MC Homo sapiens (Human)  1
1
EC50 = 4930 nM
   TI
   LI
   LO
   TS