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

C11H9FN2O4S — CID 562851

IUPAC5-fluoro-1-(4-methylphenyl)sulfonylpyrimidine-2,4-dione
SMILESCc1ccc(S(=O)(=O)n2cc(F)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C11H9FN2O4S/c1-7-2-4-8(5-3-7)19(17,18)14-6-9(12)10(15)13-11(14)16/h2-6H,1H3,(H,13,15,16)
InChIKeyPIZNOQYLTZXNRN-UHFFFAOYSA-N
MW284.27 g/mol
LogP0.22
Rot. Bonds2

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

5-fluoro-1-(4-methylphenyl)sulfonylpyrimidine-2,4-dione (PubChem CID 562851) has the molecular formula C11H9FN2O4S and a molecular weight of 284.27 g/mol. Its IUPAC name is 5-fluoro-1-(4-methylphenyl)sulfonylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-(4-methylphenyl)sulfonylpyrimidine-2,4-dione
PubChem CID562851
Molecular FormulaC11H9FN2O4S
Molecular Weight284.27 g/mol
Exact Mass284.03
IUPAC Name5-fluoro-1-(4-methylphenyl)sulfonylpyrimidine-2,4-dione
SMILESCc1ccc(S(=O)(=O)n2cc(F)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C11H9FN2O4S/c1-7-2-4-8(5-3-7)19(17,18)14-6-9(12)10(15)13-11(14)16/h2-6H,1H3,(H,13,15,16)
InChIKeyPIZNOQYLTZXNRN-UHFFFAOYSA-N
XLogP0.22
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)sulfonyl-5-fluoropyrimidine-2,4-dione
CID 10380350
5-dec-1-ynyl-1-(4-methylphenyl)sulfonylpyrimidine-2,4-dione
CID 11704090
5-chloro-1-(4-methylphenyl)sulfonylpyridin-2-one
CID 121008382
(2Z,5Z,8Z)-1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonine
CID 12599640
5-fluoro-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 60734863
1-(4-methylphenyl)sulfonyl-4H-pyrrolo[3,2-b]pyridin-5-one
CID 162343729
3-bromo-5,7-difluoro-1-(4-methylphenyl)sulfonylindole
CID 118871807
5-fluoro-3-(4-methylphenyl)sulfonyl-4H-pyrimidin-6-amine
CID 130405504
2-methyl-1-(4-methylphenyl)sulfonylpyrrole
CID 839845
2,3-dimethyl-1-(4-methylphenyl)sulfonylpyrrole
CID 102326520
3-bromo-4-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 146169458
5-amino-3-(4-methylphenyl)sulfonyl-1H-benzimidazol-2-one
CID 110724096

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(4-methylphenyl)sulfonylpyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-(4-methylphenyl)sulfonylpyrimidine-2,4-dione (CID 562851) is 5-fluoro-1-(4-methylphenyl)sulfonylpyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-(4-methylphenyl)sulfonylpyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-(4-methylphenyl)sulfonylpyrimidine-2,4-dione is Cc1ccc(S(=O)(=O)n2cc(F)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 5-fluoro-1-(4-methylphenyl)sulfonylpyrimidine-2,4-dione?
The InChIKey is PIZNOQYLTZXNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O4S/c1-7-2-4-8(5-3-7)19(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-methylphenyl)sulfonylpyrimidine-2,4-dione?
5-fluoro-1-(4-methylphenyl)sulfonylpyrimidine-2,4-dione has a molecular weight of 284.27 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(4-methylphenyl)sulfonylpyrimidine-2,4-dione is sourced from PubChem (CID 562851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).