General Information of the Compound
Compound ID
CP0472739
Compound Name
3-fluoro-N-(4-phenoxyphenyl)benzenesulfonamide
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Structure
Formula
C18H14FNO3S
Molecular Weight
343.379
Canonical SMILES
Fc1cccc(c1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
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InChI
InChI=1S/C18H14FNO3S/c19-14-5-4-8-18(13-14)24(21,22)20-15-9-11-17(12-10-15)23-16-6-2-1-3-7-16/h1-13,20H
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InChIKey
NWYYEAUKZFVVIL-UHFFFAOYSA-N
Physicochemical Property
logP
4.4188
Rotatable Bonds
5
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).

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PubChem ID
CID: 56593207
ChEMBL ID
CHEMBL3945051
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: PT01172, Progesterone receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000078 T-47D Homo sapiens (Human)  1
1
IC50 = 220 nM
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