General Information of the Compound
Compound ID
CP0499056
Compound Name
4-hydroxy-N-[2-(2-hydroxy-5-methylphenyl)ethyl]benzenesulfonamide
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Structure
Formula
C15H17NO4S
Molecular Weight
307.371
Canonical SMILES
Cc1ccc(O)c(CCNS(=O)(=O)c2ccc(O)cc2)c1
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InChI
InChI=1S/C15H17NO4S/c1-11-2-7-15(18)12(10-11)8-9-16-21(19,20)14-5-3-13(17)4-6-14/h2-7,10,16-18H,8-9H2,1H3
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InChIKey
DJUMOZKOQYBUMU-UHFFFAOYSA-N
Physicochemical Property
logP
1.92722
Rotatable Bonds
5
Heavy Atom Count
21
Polar Areas
86.63
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 56662185
ChEMBL ID
CHEMBL1836902
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: PT00889, Estrogen receptor beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000759 GeneBLAzer ERbeta-UAS-bla GripTite 293 Homo sapiens (Human)  1
1
EC50 > 2400 nM
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