N-[4-(2-naphthylmethyl)phenyl]ethenesulfonamide
Inhibitor information
- CovInDB Inhibitor
- CI005889
- Name
- N-[4-(2-naphthylmethyl)phenyl]ethenesulfonamide
- Molecular Formula
- C19H17NO2S
- Molecular Weight
- 323.0979998 g/mol
- Structure
-
- IUPAC Name
- N-[4-(2-naphthylmethyl)phenyl]ethenesulfonamide
- InChI
- InChI=1S/C19H17NO2S/c1-2-23(21,22)20-19-11-8-15(9-12-19)13-16-7-10-17-5-3-4-6-18(17)14-16/h2-12,14,20H,1,13H2
- InChI Key
- IUZGUIPYVGPQFT-UHFFFAOYSA-N
- Canonical SMILES
- C=CS(=O)(=O)Nc1ccc(Cc2ccc3ccccc3c2)cc1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
323.0979998 g/mol
Computed by RDKit
- logP
-
4.134
Computed by ALOGPS
- logS
-
-5.971
Computed by ALOGPS
- Heavy Atom Count
-
23
Computed by RDKit
- Ring Count
-
3
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
2
Computed by RDKit
- Hydrogen Bond Donor Count
-
1
Computed by RDKit
- Rotatable Bond Count
-
5
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 |
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selectivity
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Similar compounds in Virtual Screening library
Similar Natural compounds
No similar natural compounds found for this inhibitor.