8-Phenyloctane-1-sulfonyl fluoride
Inhibitor information
- CovInDB Inhibitor
- CI000764
- Name
- 8-Phenyloctane-1-sulfonyl fluoride
- Molecular Formula
- C14H21FO2S
- Molecular Weight
- 272.38 g/mol
- Structure
-
- IUPAC Name
- 8-phenyloctane-1-sulfonylfluoride
- InChI
- InChI=1S/C14H21FO2S/c15-18(16,17)13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12H,1-4,6,9-10,13H2
- InChI Key
- ZKKIPZITHIMMRA-UHFFFAOYSA-N
- Canonical SMILES
- O=S(=O)(F)CCCCCCCCc1ccccc1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
272.38 g/mol
Computed by RDKit
- logP
-
5.28
Computed by ALOGPS
- logS
-
-5
Computed by ALOGPS
- Heavy Atom Count
-
18
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
-
9
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.