Chemical Components in the PDB

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HXR : Summary

Code

HXR

One-letter code

X

Molecule name

N-oxidanyl-2-[4-(4-sulfamoylphenyl)phenyl]ethanamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N}-oxidanyl-2-[4-(4-sulfamoylphenyl)phenyl]ethanamide

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(cc1)c2ccc(CC(=O)NO)cc2
SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1CC(=O)NO)c2ccc(cc2)S(=O)(=O)N
Canonical SMILES CACTVS 3.385 N[S](=O)(=O)c1ccc(cc1)c2ccc(CC(=O)NO)cc2
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1CC(=O)NO)c2ccc(cc2)S(=O)(=O)N

IUPAC InChI

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

IUPAC InChI key

PHUYCWVFVRSGMR-UHFFFAOYSA-N
HXR

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