4-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)benzenesulfonamide

C13H15N3O4S — CID 177382367

IUPAC4-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)benzenesulfonamide
SMILESCC(=O)C1=C(C)NC(=O)NC1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H15N3O4S/c1-7-11(8(2)17)12(16-13(18)15-7)9-3-5-10(6-4-9)21(14,19)20/h3-6,12H,1-2H3,(H2,14,19,20)(H2,15,16,18)
InChIKeyUPJCLKKASYEIIF-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.55
Rot. Bonds3

About 4-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)benzenesulfonamide

4-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)benzenesulfonamide (PubChem CID 177382367) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 4-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)benzenesulfonamide
PubChem CID177382367
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name4-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)benzenesulfonamide
SMILESCC(=O)C1=C(C)NC(=O)NC1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H15N3O4S/c1-7-11(8(2)17)12(16-13(18)15-7)9-3-5-10(6-4-9)21(14,19)20/h3-6,12H,1-2H3,(H2,14,19,20)(H2,15,16,18)
InChIKeyUPJCLKKASYEIIF-UHFFFAOYSA-N
XLogP0.55
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)benzenesulfonamide (CID 177382367) is 4-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)benzenesulfonamide is CC(=O)C1=C(C)NC(=O)NC1c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)benzenesulfonamide?
The InChIKey is UPJCLKKASYEIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-7-11(8(2)17)12(16-13(18)15-7)9-3-5-10(6-4-9)21(14,19)20/h3-6,12H,1-2H3,(H2,14,19,20)(H2,15,16,18).
What are the key properties of 4-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)benzenesulfonamide?
4-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)benzenesulfonamide has a molecular weight of 309.35 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 177382367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).