General Information of the Compound
Compound ID
CP0385124
Compound Name
3-methoxy-N-methyl-N-(4-phenoxyphenyl)benzenesulfonamide
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Structure
Formula
C20H19NO4S
Molecular Weight
369.442
Canonical SMILES
COc1cccc(c1)S(=O)(=O)N(C)c1ccc(Oc2ccccc2)cc1
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InChI
InChI=1S/C20H19NO4S/c1-21(26(22,23)20-10-6-9-19(15-20)24-2)16-11-13-18(14-12-16)25-17-7-4-3-5-8-17/h3-15H,1-2H3
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InChIKey
HYQBXEGPCIBWGS-UHFFFAOYSA-N
Physicochemical Property
logP
4.3126
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
55.84
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 134153112
ChEMBL ID
CHEMBL3971739
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 = 470 nM
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