6-methyl-2,4-dioxo-N-phenyl-N-prop-2-enyl-1H-pyrimidine-5-sulfonamide

C14H15N3O4S — CID 4569326

IUPAC6-methyl-2,4-dioxo-N-phenyl-N-prop-2-enyl-1H-pyrimidine-5-sulfonamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C14H15N3O4S/c1-3-9-17(11-7-5-4-6-8-11)22(20,21)12-10(2)15-14(19)16-13(12)18/h3-8H,1,9H2,2H3,(H2,15,16,18,19)
InChIKeyWFVVGVAQLBXYKO-UHFFFAOYSA-N
MW321.36 g/mol
LogP0.75
Rot. Bonds5

About 6-methyl-2,4-dioxo-N-phenyl-N-prop-2-enyl-1H-pyrimidine-5-sulfonamide

6-methyl-2,4-dioxo-N-phenyl-N-prop-2-enyl-1H-pyrimidine-5-sulfonamide (PubChem CID 4569326) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is 6-methyl-2,4-dioxo-N-phenyl-N-prop-2-enyl-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name6-methyl-2,4-dioxo-N-phenyl-N-prop-2-enyl-1H-pyrimidine-5-sulfonamide
PubChem CID4569326
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC Name6-methyl-2,4-dioxo-N-phenyl-N-prop-2-enyl-1H-pyrimidine-5-sulfonamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C14H15N3O4S/c1-3-9-17(11-7-5-4-6-8-11)22(20,21)12-10(2)15-14(19)16-13(12)18/h3-8H,1,9H2,2H3,(H2,15,16,18,19)
InChIKeyWFVVGVAQLBXYKO-UHFFFAOYSA-N
XLogP0.75
TPSA103.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,4-dioxo-N-phenyl-N-prop-2-enyl-1H-pyrimidine-5-sulfonamide?
The IUPAC name of 6-methyl-2,4-dioxo-N-phenyl-N-prop-2-enyl-1H-pyrimidine-5-sulfonamide (CID 4569326) is 6-methyl-2,4-dioxo-N-phenyl-N-prop-2-enyl-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for 6-methyl-2,4-dioxo-N-phenyl-N-prop-2-enyl-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for 6-methyl-2,4-dioxo-N-phenyl-N-prop-2-enyl-1H-pyrimidine-5-sulfonamide is C=CCN(c1ccccc1)S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-methyl-2,4-dioxo-N-phenyl-N-prop-2-enyl-1H-pyrimidine-5-sulfonamide?
The InChIKey is WFVVGVAQLBXYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4S/c1-3-9-17(11-7-5-4-6-8-11)22(20,21)12-10(2)15-14(19)16-13(12)18/h3-8H,1,9H2,2H3,(H2,15,16,18,19).
What are the key properties of 6-methyl-2,4-dioxo-N-phenyl-N-prop-2-enyl-1H-pyrimidine-5-sulfonamide?
6-methyl-2,4-dioxo-N-phenyl-N-prop-2-enyl-1H-pyrimidine-5-sulfonamide has a molecular weight of 321.36 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,4-dioxo-N-phenyl-N-prop-2-enyl-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 4569326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).