General Information of the Compound
Compound ID
CP0382410
Compound Name
N-benzyl-4-hydroxy-N-phenylbenzenesulfonamide
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Synonyms
CHEMBL203860
N-benzyl-4-hydroxy-N-phenylbenzenesulfonamide
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Structure
Formula
C19H17NO3S
Molecular Weight
339.416
Canonical SMILES
Oc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccccc1
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InChI
InChI=1S/C19H17NO3S/c21-18-11-13-19(14-12-18)24(22,23)20(17-9-5-2-6-10-17)15-16-7-3-1-4-8-16/h1-14,21H,15H2
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InChIKey
IXILNJSCQSTWEB-UHFFFAOYSA-N
Physicochemical Property
logP
3.7877
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
57.61
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 44407802
ChEMBL ID
CHEMBL203860
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 = 242 nM
   TI
   LI
   LO
   TS
2
IC50 = 500 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-benzyl-4-hydroxy-N-phenylbenzenesulfonamide )
Drug Name N-benzyl-4-hydroxy-N-phenylbenzenesulfonamide
Target(s)
Estrogen receptor (ESR)
Inhibitor