2-oxo-1H-quinoline-6-sulfonyl fluoride

C9H6FNO3S — CID 154832132

IUPAC2-oxo-1H-quinoline-6-sulfonyl fluoride
SMILESO=c1ccc2cc(S(=O)(=O)F)ccc2[nH]1
InChIInChI=1S/C9H6FNO3S/c10-15(13,14)7-2-3-8-6(5-7)1-4-9(12)11-8/h1-5H,(H,11,12)
InChIKeyRITWPKGYNQHMOH-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.19
Rot. Bonds1

About 2-oxo-1H-quinoline-6-sulfonyl fluoride

2-oxo-1H-quinoline-6-sulfonyl fluoride (PubChem CID 154832132) has the molecular formula C9H6FNO3S and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-oxo-1H-quinoline-6-sulfonyl fluoride.

Molecular Properties

Compound Name2-oxo-1H-quinoline-6-sulfonyl fluoride
PubChem CID154832132
Molecular FormulaC9H6FNO3S
Molecular Weight227.22 g/mol
Exact Mass227.01
IUPAC Name2-oxo-1H-quinoline-6-sulfonyl fluoride
SMILESO=c1ccc2cc(S(=O)(=O)F)ccc2[nH]1
InChIInChI=1S/C9H6FNO3S/c10-15(13,14)7-2-3-8-6(5-7)1-4-9(12)11-8/h1-5H,(H,11,12)
InChIKeyRITWPKGYNQHMOH-UHFFFAOYSA-N
XLogP1.19
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1H-quinoline-6-sulfonyl fluoride?
The IUPAC name of 2-oxo-1H-quinoline-6-sulfonyl fluoride (CID 154832132) is 2-oxo-1H-quinoline-6-sulfonyl fluoride.
What is the SMILES notation for 2-oxo-1H-quinoline-6-sulfonyl fluoride?
The canonical SMILES for 2-oxo-1H-quinoline-6-sulfonyl fluoride is O=c1ccc2cc(S(=O)(=O)F)ccc2[nH]1.
What is the InChIKey of 2-oxo-1H-quinoline-6-sulfonyl fluoride?
The InChIKey is RITWPKGYNQHMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO3S/c10-15(13,14)7-2-3-8-6(5-7)1-4-9(12)11-8/h1-5H,(H,11,12).
What are the key properties of 2-oxo-1H-quinoline-6-sulfonyl fluoride?
2-oxo-1H-quinoline-6-sulfonyl fluoride has a molecular weight of 227.22 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1H-quinoline-6-sulfonyl fluoride is sourced from PubChem (CID 154832132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).