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

C17H16N2O3S — CID 102225186

IUPAC1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydropyrimidin-6-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)CCN=C2c2ccccc2)cc1
InChIInChI=1S/C17H16N2O3S/c1-13-7-9-15(10-8-13)23(21,22)19-16(20)11-12-18-17(19)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyIDOKQXBEOFNIJK-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.36
Rot. Bonds3

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

1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydropyrimidin-6-one (PubChem CID 102225186) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydropyrimidin-6-one
PubChem CID102225186
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydropyrimidin-6-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)CCN=C2c2ccccc2)cc1
InChIInChI=1S/C17H16N2O3S/c1-13-7-9-15(10-8-13)23(21,22)19-16(20)11-12-18-17(19)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyIDOKQXBEOFNIJK-UHFFFAOYSA-N
XLogP2.36
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-N,N-Diethyl-N'-(4-methylbenzenesulfonyl)benzenecarboximidamide
CID 5727124
7-(4-Ethylbenzenesulfonyl)-2-phenyl-1H,4H,5H,6H,7H,8H-pyrido[3,4-D]pyrimidin-4-one
CID 136112237
5-[(4-Methylphenyl)sulfonyl]-2-phenyl-4-pyrimidinol
CID 2764282
N,N-diethyl-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2872827
4-methyl-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]benzene-1-sulfonamide
CID 17388169
(NE)-4-methyl-N-[phenyl(piperidin-1-yl)methylidene]benzenesulfonamide
CID 6516733
2-Methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4,5-dihydropyrimidin-6-one
CID 102225194
1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-4,5-dihydropyrimidin-6-one
CID 102225195
2-Cyclohexyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one
CID 102225196
(4aR,8aS)-4,4,7-trimethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-4a,5,6,8a-tetrahydroquinazoline
CID 134846614
4-methyl-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]benzenesulfonamide
CID 16764277
4-methyl-N-[5-oxo-2-phenyl-1-(prop-2-en-1-yl)-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]benzenesulfonamide
CID 16764278

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydropyrimidin-6-one?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydropyrimidin-6-one (CID 102225186) is 1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydropyrimidin-6-one.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydropyrimidin-6-one?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydropyrimidin-6-one is Cc1ccc(S(=O)(=O)N2C(=O)CCN=C2c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydropyrimidin-6-one?
The InChIKey is IDOKQXBEOFNIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-13-7-9-15(10-8-13)23(21,22)19-16(20)11-12-18-17(19)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydropyrimidin-6-one?
1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydropyrimidin-6-one has a molecular weight of 328.39 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydropyrimidin-6-one is sourced from PubChem (CID 102225186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).