Chemical Components in the PDB

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MQJ : Summary

Code

MQJ

One-letter code

X

Molecule name

2-fluoro-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide

Systematic names

ProgramVersionName
ACDLabs 12.01 2-fluoro-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide
OpenEye OEToolkits 2.0.7 2-fluoranyl-~{N}'-naphthalen-2-ylsulfonyl-benzohydrazide

Formula

C17 H13 F N2 O3 S

Formal charge

0

Molecular weight

344.36 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C(=O)(c1ccccc1F)NNS(=O)(=O)c3cc2ccccc2cc3
SMILES CACTVS 3.385 Fc1ccccc1C(=O)NN[S](=O)(=O)c2ccc3ccccc3c2
SMILES OpenEye OEToolkits 2.0.7 c1ccc2cc(ccc2c1)S(=O)(=O)NNC(=O)c3ccccc3F
Canonical SMILES CACTVS 3.385 Fc1ccccc1C(=O)NN[S](=O)(=O)c2ccc3ccccc3c2
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc2cc(ccc2c1)S(=O)(=O)NNC(=O)c3ccccc3F

IUPAC InChI

InChI=1S/C17H13FN2O3S/c18-16-8-4-3-7-15(16)17(21)19-20-24(22,23)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,20H,(H,19,21)

IUPAC InChI key

CMGWGSMHPCWLOH-UHFFFAOYSA-N
MQJ

wwPDB Information

Atom count

37 (24 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-04-10

Last modified at

2019-06-28

Status

Released

Obsoleted

Not Assigned