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

C21H18BrFN2O4S — CID 53054728

IUPAC2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-fluorophenyl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2ccccc2F)c(=O)c1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C21H18BrFN2O4S/c1-13-11-14(2)25(12-19(26)24-18-6-4-3-5-17(18)23)21(27)20(13)30(28,29)16-9-7-15(22)8-10-16/h3-11H,12H2,1-2H3,(H,24,26)
InChIKeyQDJUVTORCHVKKI-UHFFFAOYSA-N
MW493.35 g/mol
LogP3.84
Rot. Bonds5

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

2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-fluorophenyl)acetamide (PubChem CID 53054728) has the molecular formula C21H18BrFN2O4S and a molecular weight of 493.35 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-fluorophenyl)acetamide
PubChem CID53054728
Molecular FormulaC21H18BrFN2O4S
Molecular Weight493.35 g/mol
Exact Mass492.02
IUPAC Name2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-fluorophenyl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2ccccc2F)c(=O)c1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C21H18BrFN2O4S/c1-13-11-14(2)25(12-19(26)24-18-6-4-3-5-17(18)23)21(27)20(13)30(28,29)16-9-7-15(22)8-10-16/h3-11H,12H2,1-2H3,(H,24,26)
InChIKeyQDJUVTORCHVKKI-UHFFFAOYSA-N
XLogP3.84
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.35
LogP ≤ 53.84
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-fluorophenyl)acetamide?
The IUPAC name of 2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-fluorophenyl)acetamide (CID 53054728) is 2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-fluorophenyl)acetamide is Cc1cc(C)n(CC(=O)Nc2ccccc2F)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-fluorophenyl)acetamide?
The InChIKey is QDJUVTORCHVKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrFN2O4S/c1-13-11-14(2)25(12-19(26)24-18-6-4-3-5-17(18)23)21(27)20(13)30(28,29)16-9-7-15(22)8-10-16/h3-11H,12H2,1-2H3,(H,24,26).
What are the key properties of 2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-fluorophenyl)acetamide?
2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-fluorophenyl)acetamide has a molecular weight of 493.35 g/mol, XLogP of 3.84, 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-fluorophenyl)acetamide is sourced from PubChem (CID 53054728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).