General Information of the Compound
Compound ID
CP0376617
Compound Name
N-ethyl-4-hydroxy-N-phenylbenzenesulfonamide
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Synonyms
AC1M697W
AKOS008967166
BDBM50177761
CHEMBL379234
Enamine_001944
HMS1399I08
MCULE-9434872926
MolPort-004-000-970
N-ethyl-4-hydroxy-N-phenylbenzene-1-sulfonamide
N-ethyl-4-hydroxy-N-phenylbenzenesulfonamide
Oprea1_552384
SCHEMBL10904389
Z56821525
ZINC3251814
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Structure
Formula
C14H15NO3S
Molecular Weight
277.345
Canonical SMILES
CCN(c1ccccc1)S(=O)(=O)c1ccc(O)cc1
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InChI
InChI=1S/C14H15NO3S/c1-2-15(12-6-4-3-5-7-12)19(17,18)14-10-8-13(16)9-11-14/h3-11,16H,2H2,1H3
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InChIKey
VGVYBVTUILCGFQ-UHFFFAOYSA-N
Physicochemical Property
logP
2.6074
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
57.61
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: 2368773
ChEMBL ID
CHEMBL379234
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000622 HAECT-1
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 = 1600 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 = 404 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-ethyl-4-hydroxy-N-phenylbenzenesulfonamide )
Drug Name N-ethyl-4-hydroxy-N-phenylbenzenesulfonamide
Target(s)
Estrogen receptor (ESR)
 Target Info 
Inhibitor