2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2,5-difluorophenyl)acetamide

C21H17BrF2N2O4S — CID 53054730

IUPAC2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2,5-difluorophenyl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2cc(F)ccc2F)c(=O)c1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C21H17BrF2N2O4S/c1-12-9-13(2)26(11-19(27)25-18-10-15(23)5-8-17(18)24)21(28)20(12)31(29,30)16-6-3-14(22)4-7-16/h3-10H,11H2,1-2H3,(H,25,27)
InChIKeyJXVIZLCGLKKMPA-UHFFFAOYSA-N
MW511.34 g/mol
LogP3.98
Rot. Bonds5

About 2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2,5-difluorophenyl)acetamide

2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2,5-difluorophenyl)acetamide (PubChem CID 53054730) has the molecular formula C21H17BrF2N2O4S and a molecular weight of 511.34 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2,5-difluorophenyl)acetamide
PubChem CID53054730
Molecular FormulaC21H17BrF2N2O4S
Molecular Weight511.34 g/mol
Exact Mass510.01
IUPAC Name2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2,5-difluorophenyl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2cc(F)ccc2F)c(=O)c1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C21H17BrF2N2O4S/c1-12-9-13(2)26(11-19(27)25-18-10-15(23)5-8-17(18)24)21(28)20(12)31(29,30)16-6-3-14(22)4-7-16/h3-10H,11H2,1-2H3,(H,25,27)
InChIKeyJXVIZLCGLKKMPA-UHFFFAOYSA-N
XLogP3.98
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.34
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2,5-difluorophenyl)acetamide?
The IUPAC name of 2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2,5-difluorophenyl)acetamide (CID 53054730) is 2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2,5-difluorophenyl)acetamide?
The canonical SMILES for 2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2,5-difluorophenyl)acetamide is Cc1cc(C)n(CC(=O)Nc2cc(F)ccc2F)c(=O)c1S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2,5-difluorophenyl)acetamide?
The InChIKey is JXVIZLCGLKKMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrF2N2O4S/c1-12-9-13(2)26(11-19(27)25-18-10-15(23)5-8-17(18)24)21(28)20(12)31(29,30)16-6-3-14(22)4-7-16/h3-10H,11H2,1-2H3,(H,25,27).
What are the key properties of 2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2,5-difluorophenyl)acetamide?
2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2,5-difluorophenyl)acetamide has a molecular weight of 511.34 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2,5-difluorophenyl)acetamide is sourced from PubChem (CID 53054730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).