General Information of the Compound
Compound ID
CP0417702
Compound Name
N-benzyl-N-(4-phenoxyphenyl)benzenesulfonamide
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Structure
Formula
C25H21NO3S
Molecular Weight
415.514
Canonical SMILES
O=S(=O)(N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1)c1ccccc1
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InChI
InChI=1S/C25H21NO3S/c27-30(28,25-14-8-3-9-15-25)26(20-21-10-4-1-5-11-21)22-16-18-24(19-17-22)29-23-12-6-2-7-13-23/h1-19H,20H2
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InChIKey
DVAOOLCNXJXJAY-UHFFFAOYSA-N
Physicochemical Property
logP
5.8744
Rotatable Bonds
7
Heavy Atom Count
30
Polar Areas
46.61
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
30

"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: 137651118
ChEMBL ID
CHEMBL4075236
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 = 3590 nM
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