General Information of the Compound
Compound ID
CP0408932
Compound Name
N-ethyl-4-hydroxy-N-(3-methoxyphenyl)benzenesulfonamide
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Structure
Formula
C15H17NO4S
Molecular Weight
307.371
Canonical SMILES
CCN(c1cccc(OC)c1)S(=O)(=O)c1ccc(O)cc1
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InChI
InChI=1S/C15H17NO4S/c1-3-16(12-5-4-6-14(11-12)20-2)21(18,19)15-9-7-13(17)8-10-15/h4-11,17H,3H2,1-2H3
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InChIKey
OODREYSFQZEGIU-UHFFFAOYSA-N
Physicochemical Property
logP
2.616
Rotatable Bonds
5
Heavy Atom Count
21
Polar Areas
66.84
Hydrogen Bond Donor Count
1
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: 44407582
ChEMBL ID
CHEMBL202499
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 = 830 nM
   TI
   LI
   LO
   TS
2
IC50 = 1973 nM
   TI
   LI
   LO
   TS