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RZ1 : Summary

Code

RZ1

One-letter code

X

Molecule name

N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-4-sulfamoylbenzamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-4-sulfamoylbenzamide
OpenEye OEToolkits 1.7.2 N-[2,2,3,3,4,4,5,5,5-nonakis(fluoranyl)pentyl]-4-sulfamoyl-benzamide

Formula

C12 H9 F9 N2 O3 S

Formal charge

0

Molecular weight

432.262 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=S(=O)(N)c1ccc(C(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
SMILES CACTVS 3.370 N[S](=O)(=O)c1ccc(cc1)C(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
SMILES OpenEye OEToolkits 1.7.2 c1cc(ccc1C(=O)NCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)N
Canonical SMILES CACTVS 3.370 N[S](=O)(=O)c1ccc(cc1)C(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Canonical SMILES OpenEye OEToolkits 1.7.2 c1cc(ccc1C(=O)NCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)N

IUPAC InChI

InChI=1S/C12H9F9N2O3S/c13-9(14,10(15,16)11(17,18)12(19,20)21)5-23-8(24)6-1-3-7(4-2-6)27(22,25)26/h1-4H,5H2,(H,23,24)(H2,22,25,26)

IUPAC InChI key

OHMRMSKDZFRLDB-UHFFFAOYSA-N
RZ1

wwPDB Information

Atom count

36 (27 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-05-16

Last modified at

2011-08-05

Status

Released

Obsoleted

Not Assigned