Chemical Components in the PDB

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FQY : Summary

Code

FQY

One-letter code

X

Molecule name

4-(cyclohexylselanyl)benzene-1-sulfonamide

Systematic names

ProgramVersionName
ACDLabs 12.01 4-(cyclohexylselanyl)benzene-1-sulfonamide
OpenEye OEToolkits 2.0.6 4-cyclohexylselanylbenzenesulfonamide

Formula

C12 H17 N O2 S Se

Formal charge

0

Molecular weight

318.294 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1c(ccc(c1)[Se]C2CCCCC2)S(N)(=O)=O
SMILES CACTVS 3.385 N[S](=O)(=O)c1ccc([Se]C2CCCCC2)cc1
SMILES OpenEye OEToolkits 2.0.6 c1cc(ccc1S(=O)(=O)N)[Se]C2CCCCC2
Canonical SMILES CACTVS 3.385 N[S](=O)(=O)c1ccc([Se]C2CCCCC2)cc1
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc(ccc1S(=O)(=O)N)[Se]C2CCCCC2

IUPAC InChI

InChI=1S/C12H17NO2SSe/c13-16(14,15)10-6-8-12(9-7-10)17-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,13,14,15)

IUPAC InChI key

IGTNDRSNATZZDO-UHFFFAOYSA-N
FQY

wwPDB Information

Atom count

34 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-04-16

Last modified at

2018-06-08

Status

Released

Obsoleted

Not Assigned