1-(4-ethoxyphenyl)sulfonyl-5-fluoropyrimidine-2,4-dione

C12H11FN2O5S — CID 603741

IUPAC1-(4-ethoxyphenyl)sulfonyl-5-fluoropyrimidine-2,4-dione
SMILESCCOc1ccc(S(=O)(=O)n2cc(F)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C12H11FN2O5S/c1-2-20-8-3-5-9(6-4-8)21(18,19)15-7-10(13)11(16)14-12(15)17/h3-7H,2H2,1H3,(H,14,16,17)
InChIKeyJYXNKDQEQDBBMR-UHFFFAOYSA-N
MW314.29 g/mol
LogP0.31
Rot. Bonds4

About 1-(4-ethoxyphenyl)sulfonyl-5-fluoropyrimidine-2,4-dione

1-(4-ethoxyphenyl)sulfonyl-5-fluoropyrimidine-2,4-dione (PubChem CID 603741) has the molecular formula C12H11FN2O5S and a molecular weight of 314.29 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)sulfonyl-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)sulfonyl-5-fluoropyrimidine-2,4-dione
PubChem CID603741
Molecular FormulaC12H11FN2O5S
Molecular Weight314.29 g/mol
Exact Mass314.04
IUPAC Name1-(4-ethoxyphenyl)sulfonyl-5-fluoropyrimidine-2,4-dione
SMILESCCOc1ccc(S(=O)(=O)n2cc(F)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C12H11FN2O5S/c1-2-20-8-3-5-9(6-4-8)21(18,19)15-7-10(13)11(16)14-12(15)17/h3-7H,2H2,1H3,(H,14,16,17)
InChIKeyJYXNKDQEQDBBMR-UHFFFAOYSA-N
XLogP0.31
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4(1H,3H)-Pyrimidinedione, 5-bromo-1-((4-propoxyphenyl)sulfonyl)-
CID 1565638
Uracil, 5-fluoro-N-((p-(2-methylpropoxy)phenyl)sulfonyl)-
CID 935600
Uracil, 5-fluoro-N-((p-propoxyphenyl)sulfonyl)-
CID 3064722
3-(cyclopropylmethoxy)-N-[(E)-7-(2,4-dioxopyrimidin-1-yl)-2-methylhept-5-en-2-yl]benzenesulfonamide
CID 60154848
N-((1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-2-(3-fluoro-4-methoxyphenylsulfonamido)acetamide
CID 17583137
N-[(E)-7-(2,4-dioxopyrimidin-1-yl)-2-methylhept-5-en-2-yl]-3-methoxybenzenesulfonamide
CID 60154753
3-cyclopentyloxy-N-[(E)-7-(2,4-dioxopyrimidin-1-yl)-2-methylhept-5-en-2-yl]benzenesulfonamide
CID 60154849
3-(2,2-difluoroethoxy)-N-[(E)-7-(2,4-dioxopyrimidin-1-yl)-2-methylhept-5-en-2-yl]benzenesulfonamide
CID 60154850
3-(cyclopropylmethoxy)-N-[4-[(2,4-dioxopyrimidin-1-yl)methoxy]butyl]benzenesulfonamide
CID 58218268
3-(cyclopropylmethoxy)-N-[1-[3-(2,4-dioxopyrimidin-1-yl)propoxy]-2-methylpropan-2-yl]benzenesulfonamide
CID 67022143
3-(2,2-difluoroethoxy)-N-[5-[(2,4-dioxopyrimidin-1-yl)methoxy]-2-methylpentan-2-yl]benzenesulfonamide
CID 87239672
Uracil, 5-fluoro-N-((p-methoxyphenyl)sulfonyl)-
CID 826377

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-5-fluoropyrimidine-2,4-dione (CID 603741) is 1-(4-ethoxyphenyl)sulfonyl-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-ethoxyphenyl)sulfonyl-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-(4-ethoxyphenyl)sulfonyl-5-fluoropyrimidine-2,4-dione is CCOc1ccc(S(=O)(=O)n2cc(F)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)sulfonyl-5-fluoropyrimidine-2,4-dione?
The InChIKey is JYXNKDQEQDBBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O5S/c1-2-20-8-3-5-9(6-4-8)21(18,19)15-7-10(13)11(16)14-12(15)17/h3-7H,2H2,1H3,(H,14,16,17).
What are the key properties of 1-(4-ethoxyphenyl)sulfonyl-5-fluoropyrimidine-2,4-dione?
1-(4-ethoxyphenyl)sulfonyl-5-fluoropyrimidine-2,4-dione has a molecular weight of 314.29 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)sulfonyl-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 603741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).