(4-benzoylphenyl)sulfamate
Inhibitor information
- CovInDB Inhibitor
- CI002187
- Name
- (4-benzoylphenyl)sulfamate
- Molecular Formula
- C13H11NO4S
- Molecular Weight
- 277.04 g/mol
- Structure
-
- IUPAC Name
- (4-benzoylphenyl)sulfamate
- InChI
- InChI=1S/C13H11NO4S/c14-19(16,17)18-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H,(H2,14,16,17)
- InChI Key
- LWUJBMNPWUQTGS-UHFFFAOYSA-N
- Canonical SMILES
- NS(=O)(=O)Oc1ccc(C(=O)c2ccccc2)cc1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
277.04 g/mol
Computed by RDKit
- logP
-
2.55
Computed by ALOGPS
- logS
-
-3.74
Computed by ALOGPS
- Heavy Atom Count
-
19
Computed by RDKit
- Ring Count
-
2
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
4
Computed by RDKit
- Hydrogen Bond Donor Count
-
1
Computed by RDKit
- Rotatable Bond Count
-
4
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 |
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Similar compounds in Virtual Screening library
Similar Natural compounds
No similar natural compounds found for this inhibitor.