Chemical Components in the PDB

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MHK : Summary

Code

MHK

One-letter code

X

Molecule name

naphthalene-1-sulfonamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 naphthalene-1-sulfonamide

Formula

C10 H9 N O2 S

Formal charge

0

Molecular weight

207.249 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 N[S](=O)(=O)c1cccc2ccccc12
SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)cccc2S(=O)(=O)N
Canonical SMILES CACTVS 3.385 N[S](=O)(=O)c1cccc2ccccc12
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)cccc2S(=O)(=O)N

IUPAC InChI

InChI=1S/C10H9NO2S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,11,12,13)

IUPAC InChI key

ZFIFHAKCBWOSRN-UHFFFAOYSA-N
MHK

wwPDB Information

Atom count

23 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-10-15

Last modified at

2020-10-09

Status

Released

Obsoleted

Not Assigned