General Information of the Compound
Compound ID
CP0432743
Compound Name
4-hydroxy-N-phenyl-N-propylbenzenesulfonamide
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Synonyms
4-hydroxy-N-phenyl-N-propylbenzenesulfonamide
CHEMBL205070
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Structure
Formula
C15H17NO3S
Molecular Weight
291.372
Canonical SMILES
CCCN(c1ccccc1)S(=O)(=O)c1ccc(O)cc1
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InChI
InChI=1S/C15H17NO3S/c1-2-12-16(13-6-4-3-5-7-13)20(18,19)15-10-8-14(17)9-11-15/h3-11,17H,2,12H2,1H3
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InChIKey
VUUWGEGTDFUSTR-UHFFFAOYSA-N
Physicochemical Property
logP
2.9975
Rotatable Bonds
5
Heavy Atom Count
20
Polar Areas
57.61
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 44407885
ChEMBL ID
CHEMBL205070
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 = 1430 nM
   TI
   LI
   LO
   TS
2
IC50 = 303 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-hydroxy-N-phenyl-N-propylbenzenesulfonamide )
Drug Name 4-hydroxy-N-phenyl-N-propylbenzenesulfonamide
Target(s)
Estrogen receptor (ESR)
Inhibitor