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

C17H22N2O3S — CID 102225196

IUPAC2-cyclohexyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)CCN=C2C2CCCCC2)cc1
InChIInChI=1S/C17H22N2O3S/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/h7-10,14H,2-6,11-12H2,1H3
InChIKeyZWSRXALSIRIFJK-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.89
Rot. Bonds3

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

2-cyclohexyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one (PubChem CID 102225196) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-cyclohexyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name2-cyclohexyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one
PubChem CID102225196
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name2-cyclohexyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)CCN=C2C2CCCCC2)cc1
InChIInChI=1S/C17H22N2O3S/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/h7-10,14H,2-6,11-12H2,1H3
InChIKeyZWSRXALSIRIFJK-UHFFFAOYSA-N
XLogP2.89
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methylphenyl)sulfonyl-2-phenyl-4,5-dihydropyrimidin-6-one
CID 102225186
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
N,N-diethyl-N'-(4-methylphenyl)sulfonylcyclohexanecarboximidamide
CID 101626975
N,N-diethyl-N'-(4-methylphenyl)sulfonylcyclohexanecarboximidamide
CID 76309170
N,N'-diethyl-N-(4-methylphenyl)sulfonylpentanimidamide
CID 70385286
5-Cyclohexylimino-3,3-dimethyl-1-(4-methylphenyl)sulfonyl-4-(4-methylpiperazin-1-yl)pyrrolidin-2-one
CID 122659506
[1-(4-Methylphenyl)sulfonylpiperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone
CID 16609669
2-(4-Methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one
CID 102225187
6,6-dimethyl-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-5H-pyrimidin-4-one
CID 102225197
1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]-4,5-dihydropyrimidin-6-one
CID 102363745
2-(2-Methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one
CID 102363746

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one?
The IUPAC name of 2-cyclohexyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one (CID 102225196) is 2-cyclohexyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one.
What is the SMILES notation for 2-cyclohexyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one?
The canonical SMILES for 2-cyclohexyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one is Cc1ccc(S(=O)(=O)N2C(=O)CCN=C2C2CCCCC2)cc1.
What is the InChIKey of 2-cyclohexyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one?
The InChIKey is ZWSRXALSIRIFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/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/h7-10,14H,2-6,11-12H2,1H3.
What are the key properties of 2-cyclohexyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one?
2-cyclohexyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one has a molecular weight of 334.44 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one is sourced from PubChem (CID 102225196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).