(4-formylphenyl)sulfamate
Inhibitor information
- CovInDB Inhibitor
- CI002216
- Name
- (4-formylphenyl)sulfamate
- Molecular Formula
- C7H7NO4S
- Molecular Weight
- 201.01 g/mol
- Structure
-
- IUPAC Name
- (4-formylphenyl)sulfamate
- InChI
- InChI=1S/C7H7NO4S/c8-13(10,11)12-7-3-1-6(5-9)2-4-7/h1-5H,(H2,8,10,11)
- InChI Key
- MZXYZVHVJHGZKF-UHFFFAOYSA-N
- Canonical SMILES
- NS(=O)(=O)Oc1ccc(C=O)cc1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
201.01 g/mol
Computed by RDKit
- logP
-
0.69
Computed by ALOGPS
- logS
-
-1.94
Computed by ALOGPS
- Heavy Atom Count
-
13
Computed by RDKit
- Ring Count
-
1
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
4
Computed by RDKit
- Hydrogen Bond Donor Count
-
1
Computed by RDKit
- Rotatable Bond Count
-
3
Computed by RDKit
- Topological Polar Surface Area
-
86.46 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.