5-(4-Hydroxyphenyl)Pentanesulfonyl Fluoride
Inhibitor information
- CovInDB Inhibitor
- CI000770
- Name
- 5-(4-Hydroxyphenyl)Pentanesulfonyl Fluoride
- Molecular Formula
- C11H15FO3S
- Molecular Weight
- 246.3 g/mol
- Structure
-
- IUPAC Name
- 5-(4-hydroxyphenyl)pentane-1-sulfonylfluoride
- InChI
- InChI=1S/C11H15FO3S/c12-16(14,15)9-3-1-2-4-10-5-7-11(13)8-6-10/h5-8,13H,1-4,9H2
- InChI Key
- VCCAJGFVUCFGSD-UHFFFAOYSA-N
- Canonical SMILES
- O=S(=O)(F)CCCCCc1ccc(O)cc1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
246.3 g/mol
Computed by RDKit
- logP
-
2.92
Computed by ALOGPS
- logS
-
-3.56
Computed by ALOGPS
- Heavy Atom Count
-
16
Computed by RDKit
- Ring Count
-
1
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
3
Computed by RDKit
- Hydrogen Bond Donor Count
-
1
Computed by RDKit
- Rotatable Bond Count
-
6
Computed by RDKit
- Topological Polar Surface Area
-
54.37 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
No similar compounds in the virtual screening library found for this inhibitor.
Similar Natural compounds
No similar natural compounds found for this inhibitor.