General Information of the Compound
Compound ID
CP0376618
Compound Name
N-ethyl-4-hydroxy-N-(4-hydroxyphenyl)benzenesulfonamide
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Structure
Formula
C14H15NO4S
Molecular Weight
293.344
Canonical SMILES
CCN(c1ccc(O)cc1)S(=O)(=O)c1ccc(O)cc1
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InChI
InChI=1S/C14H15NO4S/c1-2-15(11-3-5-12(16)6-4-11)20(18,19)14-9-7-13(17)8-10-14/h3-10,16-17H,2H2,1H3
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InChIKey
XIOFISRVDPPEEY-UHFFFAOYSA-N
Physicochemical Property
logP
2.313
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
77.84
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 44407725
ChEMBL ID
CHEMBL203402
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: PT00886, Estrogen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000622 HAECT-1 Homo sapiens (Human)  2
1
EC50 = 1391 nM
   TI
   LI
   LO
   TS
2
IC50 = 272 nM
   TI
   LI
   LO
   TS