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Q71 : Summary

Code

Q71

One-letter code

X

Molecule name

7-fluoro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

Systematic names

ProgramVersionName
ACDLabs 12.01 7-fluoro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
OpenEye OEToolkits 2.0.7 7-fluoranyl-1,1-bis(oxidanylidene)-4~{H}-1$l^{6},2,4-benzothiadiazin-3-one

Formula

C7 H5 F N2 O3 S

Formal charge

0

Molecular weight

216.19 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1(F)cc2c(cc1)NC(NS2(=O)=O)=O
SMILES CACTVS 3.385 Fc1ccc2NC(=O)N[S](=O)(=O)c2c1
SMILES OpenEye OEToolkits 2.0.7 c1cc2c(cc1F)S(=O)(=O)NC(=O)N2
Canonical SMILES CACTVS 3.385 Fc1ccc2NC(=O)N[S](=O)(=O)c2c1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc2c(cc1F)S(=O)(=O)NC(=O)N2

IUPAC InChI

InChI=1S/C7H5FN2O3S/c8-4-1-2-5-6(3-4)14(12,13)10-7(11)9-5/h1-3H,(H2,9,10,11)

IUPAC InChI key

ITUAGWGFDMMEMY-UHFFFAOYSA-N
Q71

wwPDB Information

Atom count

19 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-09-27

Last modified at

2019-12-13

Status

Released

Obsoleted

Not Assigned