2,4-dioxo-1-(3,3,3-trifluoropropyl)pyrimidine-5-sulfonamide

C7H8F3N3O4S — CID 81340258

IUPAC2,4-dioxo-1-(3,3,3-trifluoropropyl)pyrimidine-5-sulfonamide
SMILESNS(=O)(=O)c1cn(CCC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C7H8F3N3O4S/c8-7(9,10)1-2-13-3-4(18(11,16)17)5(14)12-6(13)15/h3H,1-2H2,(H2,11,16,17)(H,12,14,15)
InChIKeyDYLVBNZCSJKVFD-UHFFFAOYSA-N
MW287.22 g/mol
LogP-0.86
Rot. Bonds3

About 2,4-dioxo-1-(3,3,3-trifluoropropyl)pyrimidine-5-sulfonamide

2,4-dioxo-1-(3,3,3-trifluoropropyl)pyrimidine-5-sulfonamide (PubChem CID 81340258) has the molecular formula C7H8F3N3O4S and a molecular weight of 287.22 g/mol. Its IUPAC name is 2,4-dioxo-1-(3,3,3-trifluoropropyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2,4-dioxo-1-(3,3,3-trifluoropropyl)pyrimidine-5-sulfonamide
PubChem CID81340258
Molecular FormulaC7H8F3N3O4S
Molecular Weight287.22 g/mol
Exact Mass287.02
IUPAC Name2,4-dioxo-1-(3,3,3-trifluoropropyl)pyrimidine-5-sulfonamide
SMILESNS(=O)(=O)c1cn(CCC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C7H8F3N3O4S/c8-7(9,10)1-2-13-3-4(18(11,16)17)5(14)12-6(13)15/h3H,1-2H2,(H2,11,16,17)(H,12,14,15)
InChIKeyDYLVBNZCSJKVFD-UHFFFAOYSA-N
XLogP-0.86
TPSA115.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1-(3,3,3-trifluoropropyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2,4-dioxo-1-(3,3,3-trifluoropropyl)pyrimidine-5-sulfonamide (CID 81340258) is 2,4-dioxo-1-(3,3,3-trifluoropropyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2,4-dioxo-1-(3,3,3-trifluoropropyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2,4-dioxo-1-(3,3,3-trifluoropropyl)pyrimidine-5-sulfonamide is NS(=O)(=O)c1cn(CCC(F)(F)F)c(=O)[nH]c1=O.
What is the InChIKey of 2,4-dioxo-1-(3,3,3-trifluoropropyl)pyrimidine-5-sulfonamide?
The InChIKey is DYLVBNZCSJKVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O4S/c8-7(9,10)1-2-13-3-4(18(11,16)17)5(14)12-6(13)15/h3H,1-2H2,(H2,11,16,17)(H,12,14,15).
What are the key properties of 2,4-dioxo-1-(3,3,3-trifluoropropyl)pyrimidine-5-sulfonamide?
2,4-dioxo-1-(3,3,3-trifluoropropyl)pyrimidine-5-sulfonamide has a molecular weight of 287.22 g/mol, XLogP of -0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1-(3,3,3-trifluoropropyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 81340258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).