N-(1H-indazol-5-ylmethyl)ethenesulfonamide
Inhibitor information
- CovInDB Inhibitor
- CI008028
- Name
- N-(1H-indazol-5-ylmethyl)ethenesulfonamide
- Molecular Formula
- C10H11N3O2S
- Molecular Weight
- 237.0571976 g/mol
- Structure
-
- IUPAC Name
- N-(1H-indazol-5-ylmethyl)ethenesulfonamide
- InChI
- InChI=1S/C10H11N3O2S/c1-2-16(14,15)12-6-8-3-4-10-9(5-8)7-11-13-10/h2-5,7,12H,1,6H2,(H,11,13)
- InChI Key
- XWBDOTUJQFEEHA-UHFFFAOYSA-N
- Canonical SMILES
- C=CS(=O)(=O)NCc1ccc2[nH]ncc2c1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
237.0571976 g/mol
Computed by RDKit
- logP
-
0.63
Computed by ALOGPS
- logS
-
-2.71
Computed by ALOGPS
- Heavy Atom Count
-
16
Computed by RDKit
- Ring Count
-
2
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
3
Computed by RDKit
- Hydrogen Bond Donor Count
-
2
Computed by RDKit
- Rotatable Bond Count
-
4
Computed by RDKit
- Topological Polar Surface Area
-
74.85 Å2
Computed by RDKit
3D Structure
targets
| Name | ID | Warhead | Reaction Mechanism | Target Site | Activity Type | Relation | Value | Unit | Experiment Method | Assay | Reference |
|---|
reactivity
| Activity Type | Relation | Value | Unit | Assay | Reference |
|---|
Similar compounds in Virtual Screening library
No similar compounds in the virtual screening library found for this inhibitor.
Similar Natural compounds
No similar natural compounds found for this inhibitor.