2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(4-sulfamoylphenyl)acetamide

C12H11FN4O5S — CID 162676287

IUPAC2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)Cn2cc(F)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C12H11FN4O5S/c13-9-5-17(12(20)16-11(9)19)6-10(18)15-7-1-3-8(4-2-7)23(14,21)22/h1-5H,6H2,(H,15,18)(H2,14,21,22)(H,16,19,20)
InChIKeyJOEKYLVFVRSGPL-UHFFFAOYSA-N
MW342.31 g/mol
LogP-1.04
Rot. Bonds4

About 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(4-sulfamoylphenyl)acetamide

2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(4-sulfamoylphenyl)acetamide (PubChem CID 162676287) has the molecular formula C12H11FN4O5S and a molecular weight of 342.31 g/mol. Its IUPAC name is 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(4-sulfamoylphenyl)acetamide
PubChem CID162676287
Molecular FormulaC12H11FN4O5S
Molecular Weight342.31 g/mol
Exact Mass342.04
IUPAC Name2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)Cn2cc(F)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C12H11FN4O5S/c13-9-5-17(12(20)16-11(9)19)6-10(18)15-7-1-3-8(4-2-7)23(14,21)22/h1-5H,6H2,(H,15,18)(H2,14,21,22)(H,16,19,20)
InChIKeyJOEKYLVFVRSGPL-UHFFFAOYSA-N
XLogP-1.04
TPSA144.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(4-sulfamoylphenyl)acetamide (CID 162676287) is 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(NC(=O)Cn2cc(F)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is JOEKYLVFVRSGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O5S/c13-9-5-17(12(20)16-11(9)19)6-10(18)15-7-1-3-8(4-2-7)23(14,21)22/h1-5H,6H2,(H,15,18)(H2,14,21,22)(H,16,19,20).
What are the key properties of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(4-sulfamoylphenyl)acetamide?
2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 342.31 g/mol, XLogP of -1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 162676287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).