5-Phenylpentane-1-sulfonyl fluoride
Inhibitor information
- CovInDB Inhibitor
- CI001308
- Name
- 5-Phenylpentane-1-sulfonyl fluoride
- Molecular Formula
- C11H15FO2S
- Molecular Weight
- 230.3 g/mol
- Structure
-
- IUPAC Name
- 5-phenylpentane-1-sulfonylfluoride
- InChI
- InChI=1S/C11H15FO2S/c12-15(13,14)10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2
- InChI Key
- DNGYIYARJJINLZ-UHFFFAOYSA-N
- Canonical SMILES
- O=S(=O)(F)CCCCCc1ccccc1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
230.3 g/mol
Computed by RDKit
- logP
-
3.42
Computed by ALOGPS
- logS
-
-3.71
Computed by ALOGPS
- Heavy Atom Count
-
15
Computed by RDKit
- Ring Count
-
1
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
2
Computed by RDKit
- Hydrogen Bond Donor Count
-
0
Computed by RDKit
- Rotatable Bond Count
-
6
Computed by RDKit
- Topological Polar Surface Area
-
34.14 Å2
Computed by RDKit
3D Structure
Show Warhead
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.