1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-sulfonamide

C6H8FN3O4S — CID 81339874

IUPAC1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-sulfonamide
SMILESNS(=O)(=O)c1cn(CCF)c(=O)[nH]c1=O
InChIInChI=1S/C6H8FN3O4S/c7-1-2-10-3-4(15(8,13)14)5(11)9-6(10)12/h3H,1-2H2,(H2,8,13,14)(H,9,11,12)
InChIKeySRRJPALBQSNHBB-UHFFFAOYSA-N
MW237.21 g/mol
LogP-1.85
Rot. Bonds3

About 1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-sulfonamide

1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 81339874) has the molecular formula C6H8FN3O4S and a molecular weight of 237.21 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound Name1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID81339874
Molecular FormulaC6H8FN3O4S
Molecular Weight237.21 g/mol
Exact Mass237.02
IUPAC Name1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-sulfonamide
SMILESNS(=O)(=O)c1cn(CCF)c(=O)[nH]c1=O
InChIInChI=1S/C6H8FN3O4S/c7-1-2-10-3-4(15(8,13)14)5(11)9-6(10)12/h3H,1-2H2,(H2,8,13,14)(H,9,11,12)
InChIKeySRRJPALBQSNHBB-UHFFFAOYSA-N
XLogP-1.85
TPSA115.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 5-1.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of 1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-sulfonamide (CID 81339874) is 1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for 1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for 1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-sulfonamide is NS(=O)(=O)c1cn(CCF)c(=O)[nH]c1=O.
What is the InChIKey of 1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is SRRJPALBQSNHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3O4S/c7-1-2-10-3-4(15(8,13)14)5(11)9-6(10)12/h3H,1-2H2,(H2,8,13,14)(H,9,11,12).
What are the key properties of 1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-sulfonamide?
1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 237.21 g/mol, XLogP of -1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 81339874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).