General Information of the Compound
Compound ID
CP0525411
Compound Name
2,3-dichloro-N-(4-phenoxyphenyl)benzenesulfonamide
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Structure
Formula
C18H13Cl2NO3S
Molecular Weight
394.279
Canonical SMILES
Clc1cccc(c1Cl)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
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InChI
InChI=1S/C18H13Cl2NO3S/c19-16-7-4-8-17(18(16)20)25(22,23)21-13-9-11-15(12-10-13)24-14-5-2-1-3-6-14/h1-12,21H
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InChIKey
FWRZZHDLXXMGJV-UHFFFAOYSA-N
Physicochemical Property
logP
5.5865
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
55.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 134150801
ChEMBL ID
CHEMBL3966839
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 = 640 nM
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