ChemComp-ZUG: N,N-dimethylpyridine-3-sulfonamide

Basic information

• Entry: Database: PDB chemical components / ID: ZUG
• Name: Name: N,N-dimethylpyridine-3-sulfonamide

Chemical information

Composition

Formula: C₇H₁₀N₂O₂S / Number of atoms: 22 / Formula weight: 186.231 / Formal charge: 0

Others

7g9q

Type: non-polymer / PDB classification: HETAIN / Three letter code: ZUG / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7G9Q

History

Create component	Jul 5, 2023
Initial release	Jul 26, 2023

• External links: UniChem / ChemSpider / ChemicalBook / CompTox / Nikkaji / PubChem / SureChEMBL / ZINC / Wikipedia search / Google search

Details

SMILES

• ACDLabs 12.01: O=S(=O)(c1cccnc1)N(C)C
• CACTVS 3.385: CN(C)[S](=O)(=O)c1cccnc1
• OpenEye OEToolkits 2.0.7: CN(C)S(=O)(=O)c1cccnc1

SMILES CANONICAL

• CACTVS 3.385: CN(C)[S](=O)(=O)c1cccnc1
• OpenEye OEToolkits 2.0.7: CN(C)S(=O)(=O)c1cccnc1

InChI

• InChI 1.06: InChI=1S/C7H10N2O2S/c1-9(2)12(10,11)7-4-3-5-8-6-7/h3-6H,1-2H3

InChIKey

• InChI 1.06: HGZULNNLLFYOFI-UHFFFAOYSA-N

SYSTEMATIC NAME

• ACDLabs 12.01: N,N-dimethylpyridine-3-sulfonamide
• OpenEye OEToolkits 2.0.7: ~{N},~{N}-dimethylpyridine-3-sulfonamide

PDB entries

Showing all 2 items

PDB-7g9q:
PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z751811134

PDB-7h3l:
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z751811134 (A71EV2A-x0428)