N-(1H-indazol-5-yl)ethenesulfonamide
Inhibitor information
- CovInDB Inhibitor
- CI008027
- Name
- N-(1H-indazol-5-yl)ethenesulfonamide
- Molecular Formula
- C9H9N3O2S
- Molecular Weight
- 223.0415475 g/mol
- Structure
-
- IUPAC Name
- N-(1H-indazol-5-yl)ethenesulfonamide
- InChI
- InChI=1S/C9H9N3O2S/c1-2-15(13,14)12-8-3-4-9-7(5-8)6-10-11-9/h2-6,12H,1H2,(H,10,11)
- InChI Key
- PFCVXXMAXSBQRK-UHFFFAOYSA-N
- Canonical SMILES
- C=CS(=O)(=O)Nc1ccc2[nH]ncc2c1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
223.0415475 g/mol
Computed by RDKit
- logP
-
1.09
Computed by ALOGPS
- logS
-
-2.59
Computed by ALOGPS
- Heavy Atom Count
-
15
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
-
3
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 |
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reactivity
| Activity Type | Relation | Value | Unit | Assay | Reference |
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Similar compounds in Virtual Screening library
Similar Natural compounds
No similar natural compounds found for this inhibitor.