N-[4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]phenyl]sulfonylacetamide

C12H11N3O4S2 — CID 11602274

IUPACN-[4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(Sc2nccc(=O)[nH]2)cc1
InChIInChI=1S/C12H11N3O4S2/c1-8(16)15-21(18,19)10-4-2-9(3-5-10)20-12-13-7-6-11(17)14-12/h2-7H,1H3,(H,15,16)(H,13,14,17)
InChIKeyXDHKFEDIZLFJIT-UHFFFAOYSA-N
MW325.37 g/mol
LogP0.75
Rot. Bonds4

About N-[4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]phenyl]sulfonylacetamide

N-[4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]phenyl]sulfonylacetamide (PubChem CID 11602274) has the molecular formula C12H11N3O4S2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]phenyl]sulfonylacetamide
PubChem CID11602274
Molecular FormulaC12H11N3O4S2
Molecular Weight325.37 g/mol
Exact Mass325.02
IUPAC NameN-[4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(Sc2nccc(=O)[nH]2)cc1
InChIInChI=1S/C12H11N3O4S2/c1-8(16)15-21(18,19)10-4-2-9(3-5-10)20-12-13-7-6-11(17)14-12/h2-7H,1H3,(H,15,16)(H,13,14,17)
InChIKeyXDHKFEDIZLFJIT-UHFFFAOYSA-N
XLogP0.75
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]phenyl]sulfonylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]phenyl]sulfonylacetamide?
The IUPAC name of N-[4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]phenyl]sulfonylacetamide (CID 11602274) is N-[4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]phenyl]sulfonylacetamide.
What is the SMILES notation for N-[4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]phenyl]sulfonylacetamide?
The canonical SMILES for N-[4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]phenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1ccc(Sc2nccc(=O)[nH]2)cc1.
What is the InChIKey of N-[4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]phenyl]sulfonylacetamide?
The InChIKey is XDHKFEDIZLFJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S2/c1-8(16)15-21(18,19)10-4-2-9(3-5-10)20-12-13-7-6-11(17)14-12/h2-7H,1H3,(H,15,16)(H,13,14,17).
What are the key properties of N-[4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]phenyl]sulfonylacetamide?
N-[4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]phenyl]sulfonylacetamide has a molecular weight of 325.37 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]phenyl]sulfonylacetamide is sourced from PubChem (CID 11602274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).