General Information of the Compound
Compound ID
CP0544658
Compound Name
4-chloro-N-(3-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide
    Show/Hide
Structure
Formula
C14H14ClNO3S
Molecular Weight
311.79
Canonical SMILES
Cc1cc(c(C)cc1Cl)S(=O)(=O)Nc1cccc(O)c1
    Show/Hide
InChI
InChI=1S/C14H14ClNO3S/c1-9-7-14(10(2)6-13(9)15)20(18,19)16-11-4-3-5-12(17)8-11/h3-8,16-17H,1-2H3
    Show/Hide
InChIKey
NMARBJRDEZHITO-UHFFFAOYSA-N
Physicochemical Property
logP
3.46324
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
66.4
Hydrogen Bond Donor Count
2
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 39845450
ChEMBL ID
CHEMBL3314624
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: PT01679, 17-beta-hydroxysteroid dehydrogenase type 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1000 nM
   TI
   LI
   LO
   TS