2,4-dioxo-1H-pyrimidine-5-sulfonyl fluoride

C4H3FN2O4S — CID 3102991

IUPAC2,4-dioxo-1H-pyrimidine-5-sulfonyl fluoride
SMILESO=c1[nH]cc(S(=O)(=O)F)c(=O)[nH]1
InChIInChI=1S/C4H3FN2O4S/c5-12(10,11)2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
InChIKeyJIHSVLKWDSDETP-UHFFFAOYSA-N
MW194.14 g/mol
LogP-1.28
Rot. Bonds1

About 2,4-dioxo-1H-pyrimidine-5-sulfonyl fluoride

2,4-dioxo-1H-pyrimidine-5-sulfonyl fluoride (PubChem CID 3102991) has the molecular formula C4H3FN2O4S and a molecular weight of 194.14 g/mol. Its IUPAC name is 2,4-dioxo-1H-pyrimidine-5-sulfonyl fluoride.

Molecular Properties

Compound Name2,4-dioxo-1H-pyrimidine-5-sulfonyl fluoride
PubChem CID3102991
Molecular FormulaC4H3FN2O4S
Molecular Weight194.14 g/mol
Exact Mass193.98
IUPAC Name2,4-dioxo-1H-pyrimidine-5-sulfonyl fluoride
SMILESO=c1[nH]cc(S(=O)(=O)F)c(=O)[nH]1
InChIInChI=1S/C4H3FN2O4S/c5-12(10,11)2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
InChIKeyJIHSVLKWDSDETP-UHFFFAOYSA-N
XLogP-1.28
TPSA99.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.14
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1H-pyrimidine-5-sulfonyl fluoride?
The IUPAC name of 2,4-dioxo-1H-pyrimidine-5-sulfonyl fluoride (CID 3102991) is 2,4-dioxo-1H-pyrimidine-5-sulfonyl fluoride.
What is the SMILES notation for 2,4-dioxo-1H-pyrimidine-5-sulfonyl fluoride?
The canonical SMILES for 2,4-dioxo-1H-pyrimidine-5-sulfonyl fluoride is O=c1[nH]cc(S(=O)(=O)F)c(=O)[nH]1.
What is the InChIKey of 2,4-dioxo-1H-pyrimidine-5-sulfonyl fluoride?
The InChIKey is JIHSVLKWDSDETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FN2O4S/c5-12(10,11)2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9).
What are the key properties of 2,4-dioxo-1H-pyrimidine-5-sulfonyl fluoride?
2,4-dioxo-1H-pyrimidine-5-sulfonyl fluoride has a molecular weight of 194.14 g/mol, XLogP of -1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1H-pyrimidine-5-sulfonyl fluoride is sourced from PubChem (CID 3102991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).