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

C15H10FNO3S — CID 627535

IUPAC4-oxo-2-phenyl-1H-quinoline-6-sulfonyl fluoride
SMILESO=c1cc(-c2ccccc2)[nH]c2ccc(S(=O)(=O)F)cc12
InChIInChI=1S/C15H10FNO3S/c16-21(19,20)11-6-7-13-12(8-11)15(18)9-14(17-13)10-4-2-1-3-5-10/h1-9H,(H,17,18)
InChIKeyPLKAKDFVEVGIBV-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.85
Rot. Bonds2

About 4-oxo-2-phenyl-1H-quinoline-6-sulfonyl fluoride

4-oxo-2-phenyl-1H-quinoline-6-sulfonyl fluoride (PubChem CID 627535) has the molecular formula C15H10FNO3S and a molecular weight of 303.31 g/mol. Its IUPAC name is 4-oxo-2-phenyl-1H-quinoline-6-sulfonyl fluoride.

Molecular Properties

Compound Name4-oxo-2-phenyl-1H-quinoline-6-sulfonyl fluoride
PubChem CID627535
Molecular FormulaC15H10FNO3S
Molecular Weight303.31 g/mol
Exact Mass303.04
IUPAC Name4-oxo-2-phenyl-1H-quinoline-6-sulfonyl fluoride
SMILESO=c1cc(-c2ccccc2)[nH]c2ccc(S(=O)(=O)F)cc12
InChIInChI=1S/C15H10FNO3S/c16-21(19,20)11-6-7-13-12(8-11)15(18)9-14(17-13)10-4-2-1-3-5-10/h1-9H,(H,17,18)
InChIKeyPLKAKDFVEVGIBV-UHFFFAOYSA-N
XLogP2.85
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-phenyl-1H-quinoline-6-sulfonyl fluoride?
The IUPAC name of 4-oxo-2-phenyl-1H-quinoline-6-sulfonyl fluoride (CID 627535) is 4-oxo-2-phenyl-1H-quinoline-6-sulfonyl fluoride.
What is the SMILES notation for 4-oxo-2-phenyl-1H-quinoline-6-sulfonyl fluoride?
The canonical SMILES for 4-oxo-2-phenyl-1H-quinoline-6-sulfonyl fluoride is O=c1cc(-c2ccccc2)[nH]c2ccc(S(=O)(=O)F)cc12.
What is the InChIKey of 4-oxo-2-phenyl-1H-quinoline-6-sulfonyl fluoride?
The InChIKey is PLKAKDFVEVGIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO3S/c16-21(19,20)11-6-7-13-12(8-11)15(18)9-14(17-13)10-4-2-1-3-5-10/h1-9H,(H,17,18).
What are the key properties of 4-oxo-2-phenyl-1H-quinoline-6-sulfonyl fluoride?
4-oxo-2-phenyl-1H-quinoline-6-sulfonyl fluoride has a molecular weight of 303.31 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-phenyl-1H-quinoline-6-sulfonyl fluoride is sourced from PubChem (CID 627535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).