General Information of the Compound
Compound ID
CP0396596
Compound Name
N-[4-[hydroxy(dimethyl)silyl]phenyl]benzenesulfonamide
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Structure
Formula
C14H17NO3SSi
Molecular Weight
307.447
Canonical SMILES
C[Si](C)(O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
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InChI
InChI=1S/C14H17NO3SSi/c1-20(2,18)14-10-8-12(9-11-14)15-19(16,17)13-6-4-3-5-7-13/h3-11,15,18H,1-2H3
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InChIKey
ZEDQIAMGWGTPEW-UHFFFAOYSA-N
Physicochemical Property
logP
1.8918
Rotatable Bonds
4
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).

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PubChem ID
CID: 145984845
ChEMBL ID
CHEMBL4249586
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: PT01552, Nuclear receptor subfamily 1 group I member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 2400 nM
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