1-(4-methylphenyl)sulfonyl-2,3-dihydropyridin-6-one

C12H13NO3S — CID 10922977

IUPAC1-(4-methylphenyl)sulfonyl-2,3-dihydropyridin-6-one
SMILESCc1ccc(S(=O)(=O)N2CCC=CC2=O)cc1
InChIInChI=1S/C12H13NO3S/c1-10-5-7-11(8-6-10)17(15,16)13-9-3-2-4-12(13)14/h2,4-8H,3,9H2,1H3
InChIKeyJLRXRWHLXUKKBV-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.47
Rot. Bonds2

About 1-(4-methylphenyl)sulfonyl-2,3-dihydropyridin-6-one

1-(4-methylphenyl)sulfonyl-2,3-dihydropyridin-6-one (PubChem CID 10922977) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-2,3-dihydropyridin-6-one
PubChem CID10922977
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC Name1-(4-methylphenyl)sulfonyl-2,3-dihydropyridin-6-one
SMILESCc1ccc(S(=O)(=O)N2CCC=CC2=O)cc1
InChIInChI=1S/C12H13NO3S/c1-10-5-7-11(8-6-10)17(15,16)13-9-3-2-4-12(13)14/h2,4-8H,3,9H2,1H3
InChIKeyJLRXRWHLXUKKBV-UHFFFAOYSA-N
XLogP1.47
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-2,3-dihydropyridin-6-one?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-2,3-dihydropyridin-6-one (CID 10922977) is 1-(4-methylphenyl)sulfonyl-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-2,3-dihydropyridin-6-one is Cc1ccc(S(=O)(=O)N2CCC=CC2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-2,3-dihydropyridin-6-one?
The InChIKey is JLRXRWHLXUKKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c1-10-5-7-11(8-6-10)17(15,16)13-9-3-2-4-12(13)14/h2,4-8H,3,9H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-2,3-dihydropyridin-6-one?
1-(4-methylphenyl)sulfonyl-2,3-dihydropyridin-6-one has a molecular weight of 251.31 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-2,3-dihydropyridin-6-one is sourced from PubChem (CID 10922977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).