4-[(1,4-dioxo-2-naphthyl)amino]-N-(2-pyridyl)benzenesulfonamide
Inhibitor information
- CovInDB Inhibitor
- CI007071
- Name
- 4-[(1,4-dioxo-2-naphthyl)amino]-N-(2-pyridyl)benzenesulfonamide
- Molecular Formula
- C21H15N3O4S
- Molecular Weight
- 405.078327 g/mol
- Structure
-
- IUPAC Name
- 4-[(1,4-dioxo-2-naphthyl)amino]-N-(2-pyridyl)benzenesulfonamide
- InChI
- InChI=1S/C21H15N3O4S/c25-19-13-18(21(26)17-6-2-1-5-16(17)19)23-14-8-10-15(11-9-14)29(27,28)24-20-7-3-4-12-22-20/h1-13,23H,(H,22,24)
- InChI Key
- XNQJJIVNDZHRJJ-UHFFFAOYSA-N
- Canonical SMILES
- O=C1C=C(Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)C(=O)c2ccccc21
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
405.078327 g/mol
Computed by RDKit
- logP
-
3.35
Computed by ALOGPS
- logS
-
-4.51
Computed by ALOGPS
- Heavy Atom Count
-
29
Computed by RDKit
- Ring Count
-
4
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
6
Computed by RDKit
- Hydrogen Bond Donor Count
-
2
Computed by RDKit
- Rotatable Bond Count
-
5
Computed by RDKit
- Topological Polar Surface Area
-
105.23 Å2
Computed by RDKit
3D Structure
targets
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selectivity
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Similar compounds in Virtual Screening library
Similar Natural compounds
No similar natural compounds found for this inhibitor.