General Information of the Compound
Compound ID
CP0061018
Compound Name
N-(4-phenylmethoxyphenyl)methanesulfonamide
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Structure
Formula
C14H15NO3S
Molecular Weight
277.345
Canonical SMILES
CS(=O)(=O)Nc1ccc(OCc2ccccc2)cc1
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InChI
InChI=1S/C14H15NO3S/c1-19(16,17)15-13-7-9-14(10-8-13)18-11-12-5-3-2-4-6-12/h2-10,15H,11H2,1H3
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InChIKey
ARUAGQGCXPFUOS-UHFFFAOYSA-N
Physicochemical Property
logP
2.6371
Rotatable Bonds
5
Heavy Atom Count
19
Polar Areas
55.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 669037
ChEMBL ID
CHEMBL1463660
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: PT00894, Androgen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000141 LNCaP Homo sapiens (Human)  1
1
IC50 = 6110 nM
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