N-[3-hydroxy-4-(2-naphthylmethyl)phenyl]ethenesulfonamide
Inhibitor information
- CovInDB Inhibitor
- CI005898
- Name
- N-[3-hydroxy-4-(2-naphthylmethyl)phenyl]ethenesulfonamide
- Molecular Formula
- C19H17NO3S
- Molecular Weight
- 339.0929144 g/mol
- Structure
-
- IUPAC Name
- N-[3-hydroxy-4-(2-naphthylmethyl)phenyl]ethenesulfonamide
- InChI
- InChI=1S/C19H17NO3S/c1-2-24(22,23)20-18-10-9-17(19(21)13-18)12-14-7-8-15-5-3-4-6-16(15)11-14/h2-11,13,20-21H,1,12H2
- InChI Key
- HDLMVJCCOVDGLH-UHFFFAOYSA-N
- Canonical SMILES
- C=CS(=O)(=O)Nc1ccc(Cc2ccc3ccccc3c2)c(O)c1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
339.0929144 g/mol
Computed by RDKit
- logP
-
3.879
Computed by ALOGPS
- logS
-
-4.313
Computed by ALOGPS
- Heavy Atom Count
-
24
Computed by RDKit
- Ring Count
-
3
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
3
Computed by RDKit
- Hydrogen Bond Donor Count
-
2
Computed by RDKit
- Rotatable Bond Count
-
5
Computed by RDKit
- Topological Polar Surface Area
-
66.4 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
Similar Natural compounds
No similar natural compounds found for this inhibitor.