sodium 7-(4-fluorophenyl)quinoline-3-sulfinate

C15H9FNNaO2S — CID 68899227

IUPACsodium 7-(4-fluorophenyl)quinoline-3-sulfinate
SMILESO=S([O-])c1cnc2cc(-c3ccc(F)cc3)ccc2c1.[Na+]
InChIInChI=1S/C15H10FNO2S.Na/c16-13-5-3-10(4-6-13)11-1-2-12-7-14(20(18)19)9-17-15(12)8-11;/h1-9H,(H,18,19);/q;+1/p-1
InChIKeyLGZBVXOHYOVMIG-UHFFFAOYSA-M
MW309.30 g/mol
LogP0.28
Rot. Bonds2

About sodium 7-(4-fluorophenyl)quinoline-3-sulfinate

sodium 7-(4-fluorophenyl)quinoline-3-sulfinate (PubChem CID 68899227) has the molecular formula C15H9FNNaO2S and a molecular weight of 309.30 g/mol. Its IUPAC name is sodium 7-(4-fluorophenyl)quinoline-3-sulfinate.

Molecular Properties

Compound Namesodium 7-(4-fluorophenyl)quinoline-3-sulfinate
PubChem CID68899227
Molecular FormulaC15H9FNNaO2S
Molecular Weight309.30 g/mol
Exact Mass309.02
IUPAC Namesodium 7-(4-fluorophenyl)quinoline-3-sulfinate
SMILESO=S([O-])c1cnc2cc(-c3ccc(F)cc3)ccc2c1.[Na+]
InChIInChI=1S/C15H10FNO2S.Na/c16-13-5-3-10(4-6-13)11-1-2-12-7-14(20(18)19)9-17-15(12)8-11;/h1-9H,(H,18,19);/q;+1/p-1
InChIKeyLGZBVXOHYOVMIG-UHFFFAOYSA-M
XLogP0.28
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium 7-(4-fluorophenyl)quinoline-3-sulfinate?
The IUPAC name of sodium 7-(4-fluorophenyl)quinoline-3-sulfinate (CID 68899227) is sodium 7-(4-fluorophenyl)quinoline-3-sulfinate.
What is the SMILES notation for sodium 7-(4-fluorophenyl)quinoline-3-sulfinate?
The canonical SMILES for sodium 7-(4-fluorophenyl)quinoline-3-sulfinate is O=S([O-])c1cnc2cc(-c3ccc(F)cc3)ccc2c1.[Na+].
What is the InChIKey of sodium 7-(4-fluorophenyl)quinoline-3-sulfinate?
The InChIKey is LGZBVXOHYOVMIG-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H10FNO2S.Na/c16-13-5-3-10(4-6-13)11-1-2-12-7-14(20(18)19)9-17-15(12)8-11;/h1-9H,(H,18,19);/q;+1/p-1.
What are the key properties of sodium 7-(4-fluorophenyl)quinoline-3-sulfinate?
sodium 7-(4-fluorophenyl)quinoline-3-sulfinate has a molecular weight of 309.30 g/mol, XLogP of 0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 7-(4-fluorophenyl)quinoline-3-sulfinate is sourced from PubChem (CID 68899227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).