General Information of the Compound
Compound ID
CP0385146
Compound Name
N-(4-phenoxyphenyl)naphthalene-2-sulfonamide
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Structure
Formula
C22H17NO3S
Molecular Weight
375.449
Canonical SMILES
O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc2ccccc2c1
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InChI
InChI=1S/C22H17NO3S/c24-27(25,22-15-10-17-6-4-5-7-18(17)16-22)23-19-11-13-21(14-12-19)26-20-8-2-1-3-9-20/h1-16,23H
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InChIKey
BDDYBFKGGNNRHI-UHFFFAOYSA-N
Physicochemical Property
logP
5.4329
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
55.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 603699
ChEMBL ID
CHEMBL3921236
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 = 1700 nM
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