Chemical Components in the PDB

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L4Q : Summary

Code

L4Q

One-letter code

X

Molecule name

4-hexylbenzenesulfonamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 4-hexylbenzenesulfonamide

Formula

C12 H19 N O2 S

Formal charge

0

Molecular weight

241.35 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCCCCCc1ccc(cc1)[S](N)(=O)=O
SMILES OpenEye OEToolkits 2.0.7 CCCCCCc1ccc(cc1)S(=O)(=O)N
Canonical SMILES CACTVS 3.385 CCCCCCc1ccc(cc1)[S](N)(=O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CCCCCCc1ccc(cc1)S(=O)(=O)N

IUPAC InChI

InChI=1S/C12H19NO2S/c1-2-3-4-5-6-11-7-9-12(10-8-11)16(13,14)15/h7-10H,2-6H2,1H3,(H2,13,14,15)

IUPAC InChI key

QGCVBPONRAFDHS-UHFFFAOYSA-N
L4Q

wwPDB Information

Atom count

35 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-07-21

Last modified at

2020-08-21

Status

Released

Obsoleted

Not Assigned