3-(2,5-dimethylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one

C15H17NO3S — CID 1487318

IUPAC3-(2,5-dimethylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1ccc(C)c(S(=O)(=O)c2c(C)cc(C)[nH]c2=O)c1
InChIInChI=1S/C15H17NO3S/c1-9-5-6-10(2)13(7-9)20(18,19)14-11(3)8-12(4)16-15(14)17/h5-8H,1-4H3,(H,16,17)
InChIKeyBIOISZCYPOJVPV-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.44
Rot. Bonds2

About 3-(2,5-dimethylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one

3-(2,5-dimethylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 1487318) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one
PubChem CID1487318
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name3-(2,5-dimethylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1ccc(C)c(S(=O)(=O)c2c(C)cc(C)[nH]c2=O)c1
InChIInChI=1S/C15H17NO3S/c1-9-5-6-10(2)13(7-9)20(18,19)14-11(3)8-12(4)16-15(14)17/h5-8H,1-4H3,(H,16,17)
InChIKeyBIOISZCYPOJVPV-UHFFFAOYSA-N
XLogP2.44
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dimethyl-3-(phenylsulfonyl)-2(1H)-pyridinone
CID 2766974
3-[(5-fluoro-2-methylphenyl)sulfonyl]-4,6-dimethyl-2(1H)-pyridinone
CID 1476554
3-[(4-fluoro-2-methylphenyl)sulfonyl]-4,6-dimethyl-2(1H)-pyridinone
CID 1476562
3-[(2-fluorophenyl)sulfonyl]-4,6-dimethyl-2(1H)-pyridinone
CID 1483835
4,5,6-trimethyl-3-[(4-methylphenyl)sulfonyl]-2(1H)-pyridinone
CID 3646198
4,6-Dimethyl-3-(2-methylphenyl)sulfonyl-1-propan-2-ylpyridin-2-one
CID 1483857
3-(benzylsulfonyl)-4,6-dimethyl-2(1H)-pyridinone
CID 1479284
1,4,6-trimethyl-3-[(2-methylphenyl)sulfonyl]-2(1H)-pyridinone
CID 1483847
4,6-dimethyl-3-[(2-methylphenyl)sulfonyl]-1-(2-methyl-2-propenyl)-2(1H)-pyridinone
CID 3713712
1-Butyl-4,6-dimethyl-3-(2-methylphenyl)sulfonyl-2-pyridinone
CID 3740446
3-[(2-isopropylphenyl)sulfonyl]-4,6-dimethyl-2(1H)-pyridinone
CID 4669628
3-[(2,4-dimethylphenyl)sulfonyl]-4,6-dimethyl-2(1H)-pyridinone
CID 1487308

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-(2,5-dimethylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one (CID 1487318) is 3-(2,5-dimethylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(2,5-dimethylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-(2,5-dimethylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one is Cc1ccc(C)c(S(=O)(=O)c2c(C)cc(C)[nH]c2=O)c1.
What is the InChIKey of 3-(2,5-dimethylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is BIOISZCYPOJVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-9-5-6-10(2)13(7-9)20(18,19)14-11(3)8-12(4)16-15(14)17/h5-8H,1-4H3,(H,16,17).
What are the key properties of 3-(2,5-dimethylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one?
3-(2,5-dimethylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 291.37 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 1487318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).