6-Phenylhexane-1-sulfonyl fluoride
Inhibitor information
- CovInDB Inhibitor
- CI001309
- Name
- 6-Phenylhexane-1-sulfonyl fluoride
- Molecular Formula
- C12H17FO2S
- Molecular Weight
- 244.33 g/mol
- Structure
-
- IUPAC Name
- 6-phenylhexane-1-sulfonylfluoride
- InChI
- InChI=1S/C12H17FO2S/c13-16(14,15)11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2
- InChI Key
- UMHRRMYEVADXPM-UHFFFAOYSA-N
- Canonical SMILES
- O=S(=O)(F)CCCCCCc1ccccc1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
244.33 g/mol
Computed by RDKit
- logP
-
4.05
Computed by ALOGPS
- logS
-
-4.12
Computed by ALOGPS
- Heavy Atom Count
-
16
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
-
7
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.