5-fluoro-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrimidine-2,4-dione

C14H15FN2O5S — CID 935600

IUPAC5-fluoro-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrimidine-2,4-dione
SMILESCC(C)COc1ccc(S(=O)(=O)n2cc(F)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C14H15FN2O5S/c1-9(2)8-22-10-3-5-11(6-4-10)23(20,21)17-7-12(15)13(18)16-14(17)19/h3-7,9H,8H2,1-2H3,(H,16,18,19)
InChIKeyLTRMRLWAMQJNGC-UHFFFAOYSA-N
MW342.35 g/mol
LogP0.95
Rot. Bonds5

About 5-fluoro-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrimidine-2,4-dione

5-fluoro-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrimidine-2,4-dione (PubChem CID 935600) has the molecular formula C14H15FN2O5S and a molecular weight of 342.35 g/mol. Its IUPAC name is 5-fluoro-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrimidine-2,4-dione
PubChem CID935600
Molecular FormulaC14H15FN2O5S
Molecular Weight342.35 g/mol
Exact Mass342.07
IUPAC Name5-fluoro-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrimidine-2,4-dione
SMILESCC(C)COc1ccc(S(=O)(=O)n2cc(F)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C14H15FN2O5S/c1-9(2)8-22-10-3-5-11(6-4-10)23(20,21)17-7-12(15)13(18)16-14(17)19/h3-7,9H,8H2,1-2H3,(H,16,18,19)
InChIKeyLTRMRLWAMQJNGC-UHFFFAOYSA-N
XLogP0.95
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 50.95
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-(2-methylpropoxy)phenyl]sulfonylpyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrimidine-2,4-dione (CID 935600) is 5-fluoro-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrimidine-2,4-dione is CC(C)COc1ccc(S(=O)(=O)n2cc(F)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 5-fluoro-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrimidine-2,4-dione?
The InChIKey is LTRMRLWAMQJNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O5S/c1-9(2)8-22-10-3-5-11(6-4-10)23(20,21)17-7-12(15)13(18)16-14(17)19/h3-7,9H,8H2,1-2H3,(H,16,18,19).
What are the key properties of 5-fluoro-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrimidine-2,4-dione?
5-fluoro-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrimidine-2,4-dione has a molecular weight of 342.35 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrimidine-2,4-dione is sourced from PubChem (CID 935600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).