General Information of the Compound
Compound ID
CP0514471
Compound Name
3-methoxy-N-(4-phenoxyphenyl)benzenesulfonamide
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Structure
Formula
C19H17NO4S
Molecular Weight
355.415
Canonical SMILES
COc1cccc(c1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
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InChI
InChI=1S/C19H17NO4S/c1-23-18-8-5-9-19(14-18)25(21,22)20-15-10-12-17(13-11-15)24-16-6-3-2-4-7-16/h2-14,20H,1H3
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InChIKey
PCONXHPNURYLEB-UHFFFAOYSA-N
Physicochemical Property
logP
4.2883
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
64.63
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 134134996
ChEMBL ID
CHEMBL3902219
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 = 250 nM
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