Chemical Components in the PDB

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QFW : Summary

Code

QFW

One-letter code

X

Molecule name

4-[(6-propoxynaphthalen-2-yl)sulfonylamino]benzoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 4-[(6-propoxynaphthalen-2-yl)sulfonylamino]benzoic acid

Formula

C20 H19 N O5 S

Formal charge

0

Molecular weight

385.434 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCCOc1ccc2cc(ccc2c1)[S](=O)(=O)Nc3ccc(cc3)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 CCCOc1ccc2cc(ccc2c1)S(=O)(=O)Nc3ccc(cc3)C(=O)O
Canonical SMILES CACTVS 3.385 CCCOc1ccc2cc(ccc2c1)[S](=O)(=O)Nc3ccc(cc3)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CCCOc1ccc2cc(ccc2c1)S(=O)(=O)Nc3ccc(cc3)C(=O)O

IUPAC InChI

InChI=1S/C20H19NO5S/c1-2-11-26-18-9-5-16-13-19(10-6-15(16)12-18)27(24,25)21-17-7-3-14(4-8-17)20(22)23/h3-10,12-13,21H,2,11H2,1H3,(H,22,23)

IUPAC InChI key

CXGJVZAHQVOLAT-UHFFFAOYSA-N
QFW

wwPDB Information

Atom count

46 (27 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-06-15

Last modified at

2023-05-11

Status

Released

Obsoleted

Not Assigned