Chemical Components in the PDB

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HFZ : Summary

Code

HFZ

One-letter code

X

Molecule name

6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide

Systematic names

ProgramVersionName
ACDLabs 11.02 6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
OpenEye OEToolkits 1.6.1 1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide

Formula

C8 H8 F3 N3 O4 S2

Formal charge

0

Molecular weight

331.292 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 11.02 FC(F)(F)c2c(cc1c(NCNS1(=O)=O)c2)S(=O)(=O)N
SMILES CACTVS 3.352 N[S](=O)(=O)c1cc2c(NCN[S]2(=O)=O)cc1C(F)(F)F
SMILES OpenEye OEToolkits 1.7.0 c1c(c(cc2c1NCNS2(=O)=O)S(=O)(=O)N)C(F)(F)F
Canonical SMILES CACTVS 3.352 N[S](=O)(=O)c1cc2c(NCN[S]2(=O)=O)cc1C(F)(F)F
Canonical SMILES OpenEye OEToolkits 1.7.0 c1c(c(cc2c1NCNS2(=O)=O)S(=O)(=O)N)C(F)(F)F

IUPAC InChI

InChI=1S/C8H8F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5/h1-2,13-14H,3H2,(H2,12,15,16)

IUPAC InChI key

DMDGGSIALPNSEE-UHFFFAOYSA-N
HFZ

wwPDB Information

Atom count

28 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-08-10

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned