2-[3-(4-chlorophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide

C22H20ClFN2O4S — CID 53054703

IUPAC2-[3-(4-chlorophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1cc(C)n(CC(=O)NCc2ccc(F)cc2)c(=O)c1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H20ClFN2O4S/c1-14-11-15(2)26(13-20(27)25-12-16-3-7-18(24)8-4-16)22(28)21(14)31(29,30)19-9-5-17(23)6-10-19/h3-11H,12-13H2,1-2H3,(H,25,27)
InChIKeyPUEDPEZLLFFNCO-UHFFFAOYSA-N
MW462.93 g/mol
LogP3.41
Rot. Bonds6

About 2-[3-(4-chlorophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide

2-[3-(4-chlorophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 53054703) has the molecular formula C22H20ClFN2O4S and a molecular weight of 462.93 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID53054703
Molecular FormulaC22H20ClFN2O4S
Molecular Weight462.93 g/mol
Exact Mass462.08
IUPAC Name2-[3-(4-chlorophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1cc(C)n(CC(=O)NCc2ccc(F)cc2)c(=O)c1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H20ClFN2O4S/c1-14-11-15(2)26(13-20(27)25-12-16-3-7-18(24)8-4-16)22(28)21(14)31(29,30)19-9-5-17(23)6-10-19/h3-11H,12-13H2,1-2H3,(H,25,27)
InChIKeyPUEDPEZLLFFNCO-UHFFFAOYSA-N
XLogP3.41
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.93
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide (CID 53054703) is 2-[3-(4-chlorophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide is Cc1cc(C)n(CC(=O)NCc2ccc(F)cc2)c(=O)c1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is PUEDPEZLLFFNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O4S/c1-14-11-15(2)26(13-20(27)25-12-16-3-7-18(24)8-4-16)22(28)21(14)31(29,30)19-9-5-17(23)6-10-19/h3-11H,12-13H2,1-2H3,(H,25,27).
What are the key properties of 2-[3-(4-chlorophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide?
2-[3-(4-chlorophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 462.93 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 53054703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).