General Information of the Compound
Compound ID
CP0481529
Compound Name
4-tert-butyl-N-(2-hydroxy-3,5-dimethylphenyl)benzenesulfonamide
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Structure
Formula
C18H23NO3S
Molecular Weight
333.453
Canonical SMILES
Cc1cc(C)c(O)c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c1
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InChI
InChI=1S/C18H23NO3S/c1-12-10-13(2)17(20)16(11-12)19-23(21,22)15-8-6-14(7-9-15)18(3,4)5/h6-11,19-20H,1-5H3
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InChIKey
UNBIXMRLHQKSFM-UHFFFAOYSA-N
Physicochemical Property
logP
4.10734
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
66.4
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 137633069
ChEMBL ID
CHEMBL4068113
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 = 5190 nM
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