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- ChemComp-8K2: 5-chloranylthiophene-2-sulfonamide -

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Basic information

EntryDatabase: PDB chemical components / ID: 8K2
NameName: 5-chloranylthiophene-2-sulfonamide

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Chemical information

Composition
Formula: C4H4ClNO2S2 / Number of atoms: 14 / Formula weight: 197.663 / Formal charge: 0
Others

5n3t

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 8K2 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5N3T
History
Create componentFeb 9, 2017
Initial releaseFeb 28, 2018
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385N[S](=O)(=O)c1sc(Cl)cc1
OpenEye OEToolkits 2.0.6c1cc(sc1S(=O)(=O)N)Cl

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SMILES CANONICAL

CACTVS 3.385N[S](=O)(=O)c1sc(Cl)cc1
OpenEye OEToolkits 2.0.6c1cc(sc1S(=O)(=O)N)Cl

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InChI

InChI 1.03InChI=1S/C4H4ClNO2S2/c5-3-1-2-4(9-3)10(6,7)8/h1-2H,(H2,6,7,8)

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InChIKey

InChI 1.03RKLQLYBJAZBSEU-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.65-chloranylthiophene-2-sulfonamide

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PDB entries

Showing all 6 items

PDB-5n3t:
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 5-Chlorothiophene-2-sulfonamide

PDB-5sth:
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02H09 from the F2X-Universal Library

PDB-6sb7:
Human Carbonic Anhydrase II in complex with fragment.

PDB-6yqv:
Thrombin in complex with 5-chlorothiophene-2-sulfonamide (j94)

PDB-7gt8:
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMSOA001439b

PDB-7h9u:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12864

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