7-fluoro-3-(4-methoxyphenyl)sulfonyl-1H-quinolin-4-one

C16H12FNO4S — CID 22425106

IUPAC7-fluoro-3-(4-methoxyphenyl)sulfonyl-1H-quinolin-4-one
SMILESCOc1ccc(S(=O)(=O)c2c[nH]c3cc(F)ccc3c2=O)cc1
InChIInChI=1S/C16H12FNO4S/c1-22-11-3-5-12(6-4-11)23(20,21)15-9-18-14-8-10(17)2-7-13(14)16(15)19/h2-9H,1H3,(H,18,19)
InChIKeyDUYAVGRIOWPPQD-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.51
Rot. Bonds3

About 7-fluoro-3-(4-methoxyphenyl)sulfonyl-1H-quinolin-4-one

7-fluoro-3-(4-methoxyphenyl)sulfonyl-1H-quinolin-4-one (PubChem CID 22425106) has the molecular formula C16H12FNO4S and a molecular weight of 333.34 g/mol. Its IUPAC name is 7-fluoro-3-(4-methoxyphenyl)sulfonyl-1H-quinolin-4-one.

Molecular Properties

Compound Name7-fluoro-3-(4-methoxyphenyl)sulfonyl-1H-quinolin-4-one
PubChem CID22425106
Molecular FormulaC16H12FNO4S
Molecular Weight333.34 g/mol
Exact Mass333.05
IUPAC Name7-fluoro-3-(4-methoxyphenyl)sulfonyl-1H-quinolin-4-one
SMILESCOc1ccc(S(=O)(=O)c2c[nH]c3cc(F)ccc3c2=O)cc1
InChIInChI=1S/C16H12FNO4S/c1-22-11-3-5-12(6-4-11)23(20,21)15-9-18-14-8-10(17)2-7-13(14)16(15)19/h2-9H,1H3,(H,18,19)
InChIKeyDUYAVGRIOWPPQD-UHFFFAOYSA-N
XLogP2.51
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-(4-methoxyphenyl)sulfonyl-1H-quinolin-4-one?
The IUPAC name of 7-fluoro-3-(4-methoxyphenyl)sulfonyl-1H-quinolin-4-one (CID 22425106) is 7-fluoro-3-(4-methoxyphenyl)sulfonyl-1H-quinolin-4-one.
What is the SMILES notation for 7-fluoro-3-(4-methoxyphenyl)sulfonyl-1H-quinolin-4-one?
The canonical SMILES for 7-fluoro-3-(4-methoxyphenyl)sulfonyl-1H-quinolin-4-one is COc1ccc(S(=O)(=O)c2c[nH]c3cc(F)ccc3c2=O)cc1.
What is the InChIKey of 7-fluoro-3-(4-methoxyphenyl)sulfonyl-1H-quinolin-4-one?
The InChIKey is DUYAVGRIOWPPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO4S/c1-22-11-3-5-12(6-4-11)23(20,21)15-9-18-14-8-10(17)2-7-13(14)16(15)19/h2-9H,1H3,(H,18,19).
What are the key properties of 7-fluoro-3-(4-methoxyphenyl)sulfonyl-1H-quinolin-4-one?
7-fluoro-3-(4-methoxyphenyl)sulfonyl-1H-quinolin-4-one has a molecular weight of 333.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-(4-methoxyphenyl)sulfonyl-1H-quinolin-4-one is sourced from PubChem (CID 22425106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).