Chemical Components in the PDB

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HX6 : Summary

Code

HX6

One-letter code

X

Molecule name

N-oxidanyl-4-[(4-sulfamoylphenyl)methyl]benzamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N}-oxidanyl-4-[(4-sulfamoylphenyl)methyl]benzamide

Formula

C14 H14 N2 O4 S

Formal charge

0

Molecular weight

306.337 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 N[S](=O)(=O)c1ccc(Cc2ccc(cc2)C(=O)NO)cc1
SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1Cc2ccc(cc2)S(=O)(=O)N)C(=O)NO
Canonical SMILES CACTVS 3.385 N[S](=O)(=O)c1ccc(Cc2ccc(cc2)C(=O)NO)cc1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1Cc2ccc(cc2)S(=O)(=O)N)C(=O)NO

IUPAC InChI

InChI=1S/C14H14N2O4S/c15-21(19,20)13-7-3-11(4-8-13)9-10-1-5-12(6-2-10)14(17)16-18/h1-8,18H,9H2,(H,16,17)(H2,15,19,20)

IUPAC InChI key

ZYVHYCNSGQRCBB-UHFFFAOYSA-N
HX6

wwPDB Information

Atom count

35 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-02-22

Last modified at

2022-02-18

Status

Released

Obsoleted

Not Assigned