ChemComp-VVG: N-(2-fluorophenyl)ethanesulfonamide

Basic information

• Entry: Database: PDB chemical components / ID: VVG
• Name: Name: N-(2-fluorophenyl)ethanesulfonamide

Chemical information

Composition

Formula: C₈H₁₀FNO₂S / Number of atoms: 23 / Formula weight: 203.234 / Formal charge: 0

Others

5rl8

Type: non-polymer / PDB classification: HETAIN / Three letter code: VVG / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5RL8

History

Create component	Sep 17, 2020
Initial release	Sep 30, 2020

• External links: UniChem / ChemSpider / Wikipedia search / Google search

Details

SMILES

• ACDLabs 12.01: N(c1ccccc1F)S(CC)(=O)=O
• CACTVS 3.385: CC[S](=O)(=O)Nc1ccccc1F
• OpenEye OEToolkits 2.0.7: CCS(=O)(=O)Nc1ccccc1F

SMILES CANONICAL

• CACTVS 3.385: CC[S](=O)(=O)Nc1ccccc1F
• OpenEye OEToolkits 2.0.7: CCS(=O)(=O)Nc1ccccc1F

InChI

• InChI 1.03: InChI=1S/C8H10FNO2S/c1-2-13(11,12)10-8-6-4-3-5-7(8)9/h3-6,10H,2H2,1H3

InChIKey

• InChI 1.03: MRTGYFRQZQCITC-UHFFFAOYSA-N

SYSTEMATIC NAME

• ACDLabs 12.01: N-(2-fluorophenyl)ethanesulfonamide
• OpenEye OEToolkits 2.0.7: ~{N}-(2-fluorophenyl)ethanesulfonamide

PDB entries

Showing all 5 items

PDB-5rl8:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z53825177

PDB-5rzr:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z53825177

PDB-5s5p:
Tubulin-Z53825177-complex

PDB-7gp8:
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z53825177

PDB-7hh1:
PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z53825177