General Information of the Compound
Compound ID
CP0424388
Compound Name
N-benzyl-4-methoxy-N-(4-phenoxyphenyl)benzenesulfonamide
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Structure
Formula
C26H23NO4S
Molecular Weight
445.54
Canonical SMILES
COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1
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InChI
InChI=1S/C26H23NO4S/c1-30-23-16-18-26(19-17-23)32(28,29)27(20-21-8-4-2-5-9-21)22-12-14-25(15-13-22)31-24-10-6-3-7-11-24/h2-19H,20H2,1H3
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InChIKey
WHIVCKYUMMZZFT-UHFFFAOYSA-N
Physicochemical Property
logP
5.883
Rotatable Bonds
8
Heavy Atom Count
32
Polar Areas
55.84
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
32

"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: 134156029
ChEMBL ID
CHEMBL3957844
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: PT00967, Glucocorticoid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1870 nM
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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 = 3500 nM
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