1-[(2,6-difluorophenyl)methyl]-2,4-dioxopyrimidine-5-sulfonamide

C11H9F2N3O4S — CID 114935276

IUPAC1-[(2,6-difluorophenyl)methyl]-2,4-dioxopyrimidine-5-sulfonamide
SMILESNS(=O)(=O)c1cn(Cc2c(F)cccc2F)c(=O)[nH]c1=O
InChIInChI=1S/C11H9F2N3O4S/c12-7-2-1-3-8(13)6(7)4-16-5-9(21(14,19)20)10(17)15-11(16)18/h1-3,5H,4H2,(H2,14,19,20)(H,15,17,18)
InChIKeyXKTRABKHUAJZRR-UHFFFAOYSA-N
MW317.27 g/mol
LogP-0.49
Rot. Bonds3

About 1-[(2,6-difluorophenyl)methyl]-2,4-dioxopyrimidine-5-sulfonamide

1-[(2,6-difluorophenyl)methyl]-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 114935276) has the molecular formula C11H9F2N3O4S and a molecular weight of 317.27 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID114935276
Molecular FormulaC11H9F2N3O4S
Molecular Weight317.27 g/mol
Exact Mass317.03
IUPAC Name1-[(2,6-difluorophenyl)methyl]-2,4-dioxopyrimidine-5-sulfonamide
SMILESNS(=O)(=O)c1cn(Cc2c(F)cccc2F)c(=O)[nH]c1=O
InChIInChI=1S/C11H9F2N3O4S/c12-7-2-1-3-8(13)6(7)4-16-5-9(21(14,19)20)10(17)15-11(16)18/h1-3,5H,4H2,(H2,14,19,20)(H,15,17,18)
InChIKeyXKTRABKHUAJZRR-UHFFFAOYSA-N
XLogP-0.49
TPSA115.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-2,4-dioxopyrimidine-5-sulfonamide (CID 114935276) is 1-[(2,6-difluorophenyl)methyl]-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-2,4-dioxopyrimidine-5-sulfonamide is NS(=O)(=O)c1cn(Cc2c(F)cccc2F)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is XKTRABKHUAJZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O4S/c12-7-2-1-3-8(13)6(7)4-16-5-9(21(14,19)20)10(17)15-11(16)18/h1-3,5H,4H2,(H2,14,19,20)(H,15,17,18).
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-2,4-dioxopyrimidine-5-sulfonamide?
1-[(2,6-difluorophenyl)methyl]-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 317.27 g/mol, XLogP of -0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 114935276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).