2-benzyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one

C18H18N2O3S — CID 102363750

IUPAC2-benzyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)CCN=C2Cc2ccccc2)cc1
InChIInChI=1S/C18H18N2O3S/c1-14-7-9-16(10-8-14)24(22,23)20-17(19-12-11-18(20)21)13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3
InChIKeyGNNWQRNCGWGXTJ-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.56
Rot. Bonds4

About 2-benzyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one

2-benzyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one (PubChem CID 102363750) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-benzyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name2-benzyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one
PubChem CID102363750
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name2-benzyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)CCN=C2Cc2ccccc2)cc1
InChIInChI=1S/C18H18N2O3S/c1-14-7-9-16(10-8-14)24(22,23)20-17(19-12-11-18(20)21)13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3
InChIKeyGNNWQRNCGWGXTJ-UHFFFAOYSA-N
XLogP2.56
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one?
The IUPAC name of 2-benzyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one (CID 102363750) is 2-benzyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one.
What is the SMILES notation for 2-benzyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one?
The canonical SMILES for 2-benzyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one is Cc1ccc(S(=O)(=O)N2C(=O)CCN=C2Cc2ccccc2)cc1.
What is the InChIKey of 2-benzyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one?
The InChIKey is GNNWQRNCGWGXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-14-7-9-16(10-8-14)24(22,23)20-17(19-12-11-18(20)21)13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3.
What are the key properties of 2-benzyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one?
2-benzyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one has a molecular weight of 342.42 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one is sourced from PubChem (CID 102363750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).