propyl4-(4-sulfamoyloxyphenyl)benzoate
Inhibitor information
- CovInDB Inhibitor
- CI002119
- Name
- propyl4-(4-sulfamoyloxyphenyl)benzoate
- Molecular Formula
- C16H17NO5S
- Molecular Weight
- 335.08 g/mol
- Structure
-
- IUPAC Name
- propyl4-(4-sulfamoyloxyphenyl)benzoate
- InChI
- InChI=1S/C16H17NO5S/c1-2-11-21-16(18)14-5-3-12(4-6-14)13-7-9-15(10-8-13)22-23(17,19)20/h3-10H,2,11H2,1H3,(H2,17,19,20)
- InChI Key
- FZUREHAEVOLWLG-UHFFFAOYSA-N
- Canonical SMILES
- CCCOC(=O)c1ccc(-c2ccc(OS(N)(=O)=O)cc2)cc1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
335.08 g/mol
Computed by RDKit
- logP
-
3.32
Computed by ALOGPS
- logS
-
-4.6
Computed by ALOGPS
- Heavy Atom Count
-
23
Computed by RDKit
- Ring Count
-
2
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
5
Computed by RDKit
- Hydrogen Bond Donor Count
-
1
Computed by RDKit
- Rotatable Bond Count
-
6
Computed by RDKit
- Topological Polar Surface Area
-
95.69 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 |
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