3-(benzenesulfonyl)-8-fluoro-1H-quinolin-4-one

C15H10FNO3S — CID 22425104

IUPAC3-(benzenesulfonyl)-8-fluoro-1H-quinolin-4-one
SMILESO=c1c(S(=O)(=O)c2ccccc2)c[nH]c2c(F)cccc12
InChIInChI=1S/C15H10FNO3S/c16-12-8-4-7-11-14(12)17-9-13(15(11)18)21(19,20)10-5-2-1-3-6-10/h1-9H,(H,17,18)
InChIKeyKUYLCXHJISSVSZ-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.50
Rot. Bonds2

About 3-(benzenesulfonyl)-8-fluoro-1H-quinolin-4-one

3-(benzenesulfonyl)-8-fluoro-1H-quinolin-4-one (PubChem CID 22425104) has the molecular formula C15H10FNO3S and a molecular weight of 303.31 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-8-fluoro-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-8-fluoro-1H-quinolin-4-one
PubChem CID22425104
Molecular FormulaC15H10FNO3S
Molecular Weight303.31 g/mol
Exact Mass303.04
IUPAC Name3-(benzenesulfonyl)-8-fluoro-1H-quinolin-4-one
SMILESO=c1c(S(=O)(=O)c2ccccc2)c[nH]c2c(F)cccc12
InChIInChI=1S/C15H10FNO3S/c16-12-8-4-7-11-14(12)17-9-13(15(11)18)21(19,20)10-5-2-1-3-6-10/h1-9H,(H,17,18)
InChIKeyKUYLCXHJISSVSZ-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-8-fluoro-1H-quinolin-4-one?
The IUPAC name of 3-(benzenesulfonyl)-8-fluoro-1H-quinolin-4-one (CID 22425104) is 3-(benzenesulfonyl)-8-fluoro-1H-quinolin-4-one.
What is the SMILES notation for 3-(benzenesulfonyl)-8-fluoro-1H-quinolin-4-one?
The canonical SMILES for 3-(benzenesulfonyl)-8-fluoro-1H-quinolin-4-one is O=c1c(S(=O)(=O)c2ccccc2)c[nH]c2c(F)cccc12.
What is the InChIKey of 3-(benzenesulfonyl)-8-fluoro-1H-quinolin-4-one?
The InChIKey is KUYLCXHJISSVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO3S/c16-12-8-4-7-11-14(12)17-9-13(15(11)18)21(19,20)10-5-2-1-3-6-10/h1-9H,(H,17,18).
What are the key properties of 3-(benzenesulfonyl)-8-fluoro-1H-quinolin-4-one?
3-(benzenesulfonyl)-8-fluoro-1H-quinolin-4-one has a molecular weight of 303.31 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-8-fluoro-1H-quinolin-4-one is sourced from PubChem (CID 22425104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).