N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-cyano-acetamide

CovInDB Inhibitor

CI006066

Name

N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-cyano-acetamide

Molecular Formula

C₁₁H₁₂ClN₃O₃S

Molecular Weight

301.0287899 g/mol

Structure

  Warhead   Similar Compounds

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SDF 2D SDF 3D

IUPAC Name

N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-cyano-acetamide

InChI

InChI=1S/C11H12ClN3O3S/c1-15(2)19(17,18)10-7-8(3-4-9(10)12)14-11(16)5-6-13/h3-4,7H,5H2,1-2H3,(H,14,16)

InChI Key

LEXCPKGTZXTSMM-UHFFFAOYSA-N

Canonical SMILES

CN(C)S(=O)(=O)c1cc(NC(=O)CC#N)ccc1Cl

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

301.0287899 g/mol

Computed by RDKit

logP

1.096

Computed by ALOGPS

logS

-3.031

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

4

Computed by RDKit

Topological Polar Surface Area

90.27 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.