Chemical Components in the PDB

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M5B : Summary

Code

M5B

One-letter code

X

Molecule name

~{N}-(1~{H}-imidazol-2-yl)thiophene-2-sulfonamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N}-(1~{H}-imidazol-2-yl)thiophene-2-sulfonamide

Formula

C7 H7 N3 O2 S2

Formal charge

0

Molecular weight

229.279 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 O=[S](=O)(Nc1[nH]ccn1)c2sccc2
SMILES OpenEye OEToolkits 2.0.7 c1cc(sc1)S(=O)(=O)Nc2[nH]ccn2
Canonical SMILES CACTVS 3.385 O=[S](=O)(Nc1[nH]ccn1)c2sccc2
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(sc1)S(=O)(=O)Nc2[nH]ccn2

IUPAC InChI

InChI=1S/C7H7N3O2S2/c11-14(12,6-2-1-5-13-6)10-7-8-3-4-9-7/h1-5H,(H2,8,9,10)

IUPAC InChI key

ATSVZZXTTMVGSI-UHFFFAOYSA-N
M5B

wwPDB Information

Atom count

21 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-10-03

Last modified at

2020-02-28

Status

Released

Obsoleted

Not Assigned