N-(2-phenoxyphenyl)ethenesulfonamide
Inhibitor information
- CovInDB Inhibitor
- CI005891
- Name
- N-(2-phenoxyphenyl)ethenesulfonamide
- Molecular Formula
- C14H13NO3S
- Molecular Weight
- 275.0616143 g/mol
- Structure
-
- IUPAC Name
- N-(2-phenoxyphenyl)ethenesulfonamide
- InChI
- InChI=1S/C14H13NO3S/c1-2-19(16,17)15-13-10-6-7-11-14(13)18-12-8-4-3-5-9-12/h2-11,15H,1H2
- InChI Key
- BDOQYKIIBFQZRU-UHFFFAOYSA-N
- Canonical SMILES
- C=CS(=O)(=O)Nc1ccccc1Oc1ccccc1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
275.0616143 g/mol
Computed by RDKit
- logP
-
3.036
Computed by ALOGPS
- logS
-
-3.585
Computed by ALOGPS
- Heavy Atom Count
-
19
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
-
5
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
Similar Natural compounds
No similar natural compounds found for this inhibitor.