Chemical Components in the PDB

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LBQ : Summary

Code

LBQ

One-letter code

X

Molecule name

4-(furan-2-ylmethylamino)benzenesulfonamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 4-(furan-2-ylmethylamino)benzenesulfonamide

Formula

C11 H12 N2 O3 S

Formal charge

0

Molecular weight

252.29 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 N[S](=O)(=O)c1ccc(NCc2occc2)cc1
SMILES OpenEye OEToolkits 2.0.7 c1cc(oc1)CNc2ccc(cc2)S(=O)(=O)N
Canonical SMILES CACTVS 3.385 N[S](=O)(=O)c1ccc(NCc2occc2)cc1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(oc1)CNc2ccc(cc2)S(=O)(=O)N

IUPAC InChI

InChI=1S/C11H12N2O3S/c12-17(14,15)11-5-3-9(4-6-11)13-8-10-2-1-7-16-10/h1-7,13H,8H2,(H2,12,14,15)

IUPAC InChI key

GTFXUNQMJHDIRE-UHFFFAOYSA-N
LBQ

wwPDB Information

Atom count

29 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-08-02

Last modified at

2020-08-21

Status

Released

Obsoleted

Not Assigned