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

CovInDB Inhibitor

CI006068

Name

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

Molecular Formula

C₁₀H₁₂ClN₃O₂S

Molecular Weight

273.0338753 g/mol

Structure

  Warhead   Similar Compounds

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SDF 2D SDF 3D

IUPAC Name

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

InChI

InChI=1S/C10H12ClN3O2S/c1-14(2)17(15,16)10-7-8(13-6-5-12)3-4-9(10)11/h3-4,7,13H,6H2,1-2H3

InChI Key

OCEZVHNNOMRPED-UHFFFAOYSA-N

Canonical SMILES

CN(C)S(=O)(=O)c1cc(NCC#N)ccc1Cl

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

273.0338753 g/mol

Computed by RDKit

logP

1.286

Computed by ALOGPS

logS

-2.014

Computed by ALOGPS

Heavy Atom Count

17

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

73.2 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.