6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-(methylsulfonimidoyl)-1H-pyridin-4-one

C18H23ClN2O2S — CID 170306807

IUPAC6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-(methylsulfonimidoyl)-1H-pyridin-4-one
SMILES[H]N=S(C)(=O)c1c(C)[nH]c(-c2cc(Cl)c(C(C)(C)C)cc2C)cc1=O
InChIInChI=1S/C18H23ClN2O2S/c1-10-7-13(18(3,4)5)14(19)8-12(10)15-9-16(22)17(11(2)21-15)24(6,20)23/h7-9,20H,1-6H3,(H,21,22)
InChIKeyLQMHJAGGAHNQHC-UHFFFAOYSA-N
MW366.91 g/mol
LogP4.65
Rot. Bonds2

About 6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-(methylsulfonimidoyl)-1H-pyridin-4-one

6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-(methylsulfonimidoyl)-1H-pyridin-4-one (PubChem CID 170306807) has the molecular formula C18H23ClN2O2S and a molecular weight of 366.91 g/mol. Its IUPAC name is 6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-(methylsulfonimidoyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-(methylsulfonimidoyl)-1H-pyridin-4-one
PubChem CID170306807
Molecular FormulaC18H23ClN2O2S
Molecular Weight366.91 g/mol
Exact Mass366.12
IUPAC Name6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-(methylsulfonimidoyl)-1H-pyridin-4-one
SMILES[H]N=S(C)(=O)c1c(C)[nH]c(-c2cc(Cl)c(C(C)(C)C)cc2C)cc1=O
InChIInChI=1S/C18H23ClN2O2S/c1-10-7-13(18(3,4)5)14(19)8-12(10)15-9-16(22)17(11(2)21-15)24(6,20)23/h7-9,20H,1-6H3,(H,21,22)
InChIKeyLQMHJAGGAHNQHC-UHFFFAOYSA-N
XLogP4.65
TPSA73.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.91
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-propan-2-ylsulfanyl-1H-pyridin-4-one
CID 169249888
N'-amino-6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-4-oxo-1H-pyridine-3-carboximidamide
CID 169250150
6-(4-tert-butyl-2-fluoro-3,6-dimethylphenyl)-2-methyl-3-(methylsulfonimidoyl)-1H-pyridin-4-one
CID 169250235
6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-pyridin-4-yl-1H-pyridin-4-one
CID 169250188
5-[6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-4-oxo-1H-pyridin-3-yl]-1H-pyrimidine-2,4-dione
CID 169250224
6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-(2-methyltetrazol-5-yl)-1H-pyridin-4-one
CID 169250139
2-(4-tert-butyl-5-chloro-2-methylphenyl)-8-methyl-1H-1,6-naphthyridin-4-one
CID 169256185
2-(4-tert-butyl-5-chloro-2-methylphenyl)-1,6-dihydropyrido[2,3-d]pyridazine-4,5-dione
CID 169257050
2-(4-tert-butyl-5-chloro-2-methylphenyl)-1H-1,6-naphthyridin-4-one
CID 169256145
2-(4-tert-butyl-5-chloro-2-methylphenyl)-5-hydroxy-1H-1,7-naphthyridin-4-one
CID 169257010
2-(4-tert-butyl-5-chloro-2-methylphenyl)-4-oxo-1H-thieno[3,4-b]pyridine-5-carboxamide
CID 177312069
2-[5-chloro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]-1H-1,6-naphthyridin-4-one
CID 169257028

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-(methylsulfonimidoyl)-1H-pyridin-4-one?
The IUPAC name of 6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-(methylsulfonimidoyl)-1H-pyridin-4-one (CID 170306807) is 6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-(methylsulfonimidoyl)-1H-pyridin-4-one.
What is the SMILES notation for 6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-(methylsulfonimidoyl)-1H-pyridin-4-one?
The canonical SMILES for 6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-(methylsulfonimidoyl)-1H-pyridin-4-one is [H]N=S(C)(=O)c1c(C)[nH]c(-c2cc(Cl)c(C(C)(C)C)cc2C)cc1=O.
What is the InChIKey of 6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-(methylsulfonimidoyl)-1H-pyridin-4-one?
The InChIKey is LQMHJAGGAHNQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2S/c1-10-7-13(18(3,4)5)14(19)8-12(10)15-9-16(22)17(11(2)21-15)24(6,20)23/h7-9,20H,1-6H3,(H,21,22).
What are the key properties of 6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-(methylsulfonimidoyl)-1H-pyridin-4-one?
6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-(methylsulfonimidoyl)-1H-pyridin-4-one has a molecular weight of 366.91 g/mol, XLogP of 4.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-(methylsulfonimidoyl)-1H-pyridin-4-one is sourced from PubChem (CID 170306807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).