N-ethyl-2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethanesulfonamide

C8H12FN3O5S — CID 106338321

IUPACN-ethyl-2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethanesulfonamide
SMILESCCNS(=O)(=O)CCn1c(O)c(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H12FN3O5S/c1-2-10-18(16,17)4-3-12-7(14)5(9)6(13)11-8(12)15/h10,14H,2-4H2,1H3,(H,11,13,15)
InChIKeyCFNCEURYVDMJGB-UHFFFAOYSA-N
MW281.26 g/mol
LogP-1.68
Rot. Bonds5

About N-ethyl-2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethanesulfonamide

N-ethyl-2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethanesulfonamide (PubChem CID 106338321) has the molecular formula C8H12FN3O5S and a molecular weight of 281.26 g/mol. Its IUPAC name is N-ethyl-2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethanesulfonamide
PubChem CID106338321
Molecular FormulaC8H12FN3O5S
Molecular Weight281.26 g/mol
Exact Mass281.05
IUPAC NameN-ethyl-2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethanesulfonamide
SMILESCCNS(=O)(=O)CCn1c(O)c(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H12FN3O5S/c1-2-10-18(16,17)4-3-12-7(14)5(9)6(13)11-8(12)15/h10,14H,2-4H2,1H3,(H,11,13,15)
InChIKeyCFNCEURYVDMJGB-UHFFFAOYSA-N
XLogP-1.68
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 5-1.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethanesulfonamide?
The IUPAC name of N-ethyl-2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethanesulfonamide (CID 106338321) is N-ethyl-2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethanesulfonamide?
The canonical SMILES for N-ethyl-2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethanesulfonamide is CCNS(=O)(=O)CCn1c(O)c(F)c(=O)[nH]c1=O.
What is the InChIKey of N-ethyl-2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethanesulfonamide?
The InChIKey is CFNCEURYVDMJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O5S/c1-2-10-18(16,17)4-3-12-7(14)5(9)6(13)11-8(12)15/h10,14H,2-4H2,1H3,(H,11,13,15).
What are the key properties of N-ethyl-2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethanesulfonamide?
N-ethyl-2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethanesulfonamide has a molecular weight of 281.26 g/mol, XLogP of -1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethanesulfonamide is sourced from PubChem (CID 106338321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).