N-(2-naphthyl)ethenesulfonamide
Inhibitor information
- CovInDB Inhibitor
- CI005892
- Name
- N-(2-naphthyl)ethenesulfonamide
- Molecular Formula
- C12H11NO2S
- Molecular Weight
- 233.0510496 g/mol
- Structure
-
- IUPAC Name
- N-(2-naphthyl)ethenesulfonamide
- InChI
- InChI=1S/C12H11NO2S/c1-2-16(14,15)13-12-8-7-10-5-3-4-6-11(10)9-12/h2-9,13H,1H2
- InChI Key
- ZNEKNTIVOVZSKE-UHFFFAOYSA-N
- Canonical SMILES
- C=CS(=O)(=O)Nc1ccc2ccccc2c1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
233.0510496 g/mol
Computed by RDKit
- logP
-
2.821
Computed by ALOGPS
- logS
-
-3.141
Computed by ALOGPS
- Heavy Atom Count
-
16
Computed by RDKit
- Ring Count
-
2
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
2
Computed by RDKit
- Hydrogen Bond Donor Count
-
1
Computed by RDKit
- Rotatable Bond Count
-
3
Computed by RDKit
- Topological Polar Surface Area
-
46.17 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
Similar Natural compounds
No similar natural compounds found for this inhibitor.