N-(4-benzyloxyphenyl)ethenesulfonamide

Inhibitor information

CovInDB Inhibitor
CI005893
Name
N-(4-benzyloxyphenyl)ethenesulfonamide
Molecular Formula
C15H15NO3S
Molecular Weight
289.0772643 g/mol
Structure
2D structure
  Warhead   Similar Compounds
IUPAC Name
N-(4-benzyloxyphenyl)ethenesulfonamide
InChI
InChI=1S/C15H15NO3S/c1-2-20(17,18)16-14-8-10-15(11-9-14)19-12-13-6-4-3-5-7-13/h2-11,16H,1,12H2
InChI Key
JNSJAAOEXIABTF-UHFFFAOYSA-N
Canonical SMILES
C=CS(=O)(=O)Nc1ccc(OCc2ccccc2)cc1
Cocrystal structures
No cocrystal structures found for this inhibitor.


Calculated Properties

Molecular Weight

289.0772643 g/mol

Computed by RDKit

logP

2.922

Computed by ALOGPS

logS

-3.228

Computed by ALOGPS

Heavy Atom Count

20

Computed by RDKit

Ring Count

2

Computed by RDKit

Hydrogen Bond Acceptor Count

3

Computed by RDKit

Hydrogen Bond Donor Count

1

Computed by RDKit

Rotatable Bond Count

6

Computed by RDKit

Topological Polar Surface Area

55.4 Å2

Computed by RDKit



3D Structure



targets

Name ID Warhead Reaction Mechanism Target Site Activity Type Relation Value Unit Experiment Method Assay Reference


Similar compounds in Virtual Screening library

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Similar Natural compounds

No similar natural compounds found for this inhibitor.