General Information of the Compound
Compound ID
CP0410479
Compound Name
4-tert-butyl-N-(2-hydroxyphenyl)benzenesulfonamide
    Show/Hide
Structure
Formula
C16H19NO3S
Molecular Weight
305.399
Canonical SMILES
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccccc1O
    Show/Hide
InChI
InChI=1S/C16H19NO3S/c1-16(2,3)12-8-10-13(11-9-12)21(19,20)17-14-6-4-5-7-15(14)18/h4-11,17-18H,1-3H3
    Show/Hide
InChIKey
LBLDWCORBVGHIL-UHFFFAOYSA-N
Physicochemical Property
logP
3.4905
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
66.4
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 6459034
SID: 16254336
ChEMBL ID
CHEMBL186268
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 = 1230 nM
   TI
   LI
   LO
   TS
Protein ID: PT03034, Cytochrome b-c1 complex subunit 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
IC50 = 8000 nM
   TI
   LI
   LO
   TS