Chemical Components in the PDB

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L7T : Summary

Code

L7T

One-letter code

X

Molecule name

2,3,4,5,6-pentafluorobenzenesulfonamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2,3,4,5,6-pentakis(fluoranyl)benzenesulfonamide

Formula

C6 H2 F5 N O2 S

Formal charge

0

Molecular weight

247.143 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 N[S](=O)(=O)c1c(F)c(F)c(F)c(F)c1F
SMILES OpenEye OEToolkits 2.0.7 c1(c(c(c(c(c1F)F)S(=O)(=O)N)F)F)F
Canonical SMILES CACTVS 3.385 N[S](=O)(=O)c1c(F)c(F)c(F)c(F)c1F
Canonical SMILES OpenEye OEToolkits 2.0.7 c1(c(c(c(c(c1F)F)S(=O)(=O)N)F)F)F

IUPAC InChI

InChI=1S/C6H2F5NO2S/c7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9/h(H2,12,13,14)

IUPAC InChI key

ZWVYQZBCSXCUOO-UHFFFAOYSA-N
L7T

wwPDB Information

Atom count

17 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-07-26

Last modified at

2020-04-10

Status

Released

Obsoleted

Not Assigned