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- ChemComp-UR1: 3-fluoro-5-methylbenzene-1-sulfonamide -

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Basic information

EntryDatabase: PDB chemical components / ID: UR1
NameName: 3-fluoro-5-methylbenzene-1-sulfonamide

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Chemical information

Composition
Formula: C7H8FNO2S / Number of atoms: 20 / Formula weight: 189.207 / Formal charge: 0
Others

5rhx

Type: non-polymer / PDB classification: HETAIN / Three letter code: UR1 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5RHX
History
Create componentMay 27, 2020
Initial releaseJun 10, 2020
External linksUniChem / ChemSpider / PubChem / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01c1c(S(N)(=O)=O)cc(C)cc1F
CACTVS 3.385Cc1cc(F)cc(c1)[S](N)(=O)=O
OpenEye OEToolkits 2.0.7Cc1cc(cc(c1)S(=O)(=O)N)F

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SMILES CANONICAL

CACTVS 3.385Cc1cc(F)cc(c1)[S](N)(=O)=O
OpenEye OEToolkits 2.0.7Cc1cc(cc(c1)S(=O)(=O)N)F

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InChI

InChI 1.03InChI=1S/C7H8FNO2S/c1-5-2-6(8)4-7(3-5)12(9,10)11/h2-4H,1H3,(H2,9,10,11)

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InChIKey

InChI 1.03RMTMZIARFLDIKQ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.013-fluoro-5-methylbenzene-1-sulfonamide
OpenEye OEToolkits 2.0.73-fluoranyl-5-methyl-benzenesulfonamide

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PDB entries

Showing all 4 items

PDB-5rhx:
PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z1324080698

PDB-5rkx:
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z1324080698

PDB-5s59:
Tubulin-Z1324080698-complex

PDB-7gob:
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1295863442

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