2-chloro-N,N-dimethyl-5-(vinylsulfonylamino)benzenesulfonamide

Inhibitor information

CovInDB Inhibitor
CI005193
Name
2-chloro-N,N-dimethyl-5-(vinylsulfonylamino)benzenesulfonamide
Molecular Formula
C10H13ClN2O4S2
Molecular Weight
324.0005266 g/mol
Structure
2D structure
  Warhead   Similar Compounds
IUPAC Name
2-chloro-N,N-dimethyl-5-(vinylsulfonylamino)benzenesulfonamide
InChI
InChI=1S/C10H13ClN2O4S2/c1-4-18(14,15)12-8-5-6-9(11)10(7-8)19(16,17)13(2)3/h4-7,12H,1H2,2-3H3
InChI Key
AJMAOXVVJZMRBA-UHFFFAOYSA-N
Canonical SMILES
C=CS(=O)(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1
Cocrystal structures
No cocrystal structures found for this inhibitor.


Calculated Properties

Molecular Weight

324.0005266 g/mol

Computed by RDKit

logP

1.547

Computed by ALOGPS

logS

-2.477

Computed by ALOGPS

Heavy Atom Count

19

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

5

Computed by RDKit

Topological Polar Surface Area

83.55 Å2

Computed by RDKit



3D Structure



targets

Name ID Warhead Reaction Mechanism Target Site Activity Type Relation Value Unit Experiment Method Assay Reference

bioactivity

Object Object Type Activity Type Relation Value Unit Assay Reference


Similar compounds in Virtual Screening library

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Similar Natural compounds

No similar natural compounds found for this inhibitor.