General Information of the Compound
Compound ID
CP0496367
Compound Name
N-(4-phenylmethoxyphenyl)benzenesulfonamide
    Show/Hide
Structure
Formula
C19H17NO3S
Molecular Weight
339.416
Canonical SMILES
O=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1ccccc1
    Show/Hide
InChI
InChI=1S/C19H17NO3S/c21-24(22,19-9-5-2-6-10-19)20-17-11-13-18(14-12-17)23-15-16-7-3-1-4-8-16/h1-14,20H,15H2
    Show/Hide
InChIKey
FGQGLNSXKGFPEV-UHFFFAOYSA-N
Physicochemical Property
logP
4.0664
Rotatable Bonds
6
Heavy Atom Count
24
Polar Areas
55.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 799154
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: PT00894, Androgen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000141 LNCaP Homo sapiens (Human)  1
1
IC50 = 110 nM
   TI
   LI
   LO
   TS