5-fluoro-1-(4-methoxyphenyl)sulfonylpyrimidine-2,4-dione

C11H9FN2O5S — CID 826377

IUPAC5-fluoro-1-(4-methoxyphenyl)sulfonylpyrimidine-2,4-dione
SMILESCOc1ccc(S(=O)(=O)n2cc(F)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C11H9FN2O5S/c1-19-7-2-4-8(5-3-7)20(17,18)14-6-9(12)10(15)13-11(14)16/h2-6H,1H3,(H,13,15,16)
InChIKeyCDZDGDFZYYUMGA-UHFFFAOYSA-N
MW300.27 g/mol
LogP-0.08
Rot. Bonds3

About 5-fluoro-1-(4-methoxyphenyl)sulfonylpyrimidine-2,4-dione

5-fluoro-1-(4-methoxyphenyl)sulfonylpyrimidine-2,4-dione (PubChem CID 826377) has the molecular formula C11H9FN2O5S and a molecular weight of 300.27 g/mol. Its IUPAC name is 5-fluoro-1-(4-methoxyphenyl)sulfonylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-(4-methoxyphenyl)sulfonylpyrimidine-2,4-dione
PubChem CID826377
Molecular FormulaC11H9FN2O5S
Molecular Weight300.27 g/mol
Exact Mass300.02
IUPAC Name5-fluoro-1-(4-methoxyphenyl)sulfonylpyrimidine-2,4-dione
SMILESCOc1ccc(S(=O)(=O)n2cc(F)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C11H9FN2O5S/c1-19-7-2-4-8(5-3-7)20(17,18)14-6-9(12)10(15)13-11(14)16/h2-6H,1H3,(H,13,15,16)
InChIKeyCDZDGDFZYYUMGA-UHFFFAOYSA-N
XLogP-0.08
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(4-methoxyphenyl)sulfonylpyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-(4-methoxyphenyl)sulfonylpyrimidine-2,4-dione (CID 826377) is 5-fluoro-1-(4-methoxyphenyl)sulfonylpyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-(4-methoxyphenyl)sulfonylpyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-(4-methoxyphenyl)sulfonylpyrimidine-2,4-dione is COc1ccc(S(=O)(=O)n2cc(F)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 5-fluoro-1-(4-methoxyphenyl)sulfonylpyrimidine-2,4-dione?
The InChIKey is CDZDGDFZYYUMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O5S/c1-19-7-2-4-8(5-3-7)20(17,18)14-6-9(12)10(15)13-11(14)16/h2-6H,1H3,(H,13,15,16).
What are the key properties of 5-fluoro-1-(4-methoxyphenyl)sulfonylpyrimidine-2,4-dione?
5-fluoro-1-(4-methoxyphenyl)sulfonylpyrimidine-2,4-dione has a molecular weight of 300.27 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(4-methoxyphenyl)sulfonylpyrimidine-2,4-dione is sourced from PubChem (CID 826377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).