2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide

C11H14F3N3O4S — CID 7828880

IUPAC2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C11H14F3N3O4S/c1-16(2)22(20,21)8-3-4-10(19)17(5-8)6-9(18)15-7-11(12,13)14/h3-5H,6-7H2,1-2H3,(H,15,18)
InChIKeyFHRMIJMSIVGJOM-UHFFFAOYSA-N
MW341.31 g/mol
LogP-0.22
Rot. Bonds5

About 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide

2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 7828880) has the molecular formula C11H14F3N3O4S and a molecular weight of 341.31 g/mol. Its IUPAC name is 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID7828880
Molecular FormulaC11H14F3N3O4S
Molecular Weight341.31 g/mol
Exact Mass341.07
IUPAC Name2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C11H14F3N3O4S/c1-16(2)22(20,21)8-3-4-10(19)17(5-8)6-9(18)15-7-11(12,13)14/h3-5H,6-7H2,1-2H3,(H,15,18)
InChIKeyFHRMIJMSIVGJOM-UHFFFAOYSA-N
XLogP-0.22
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 7768185
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8953706
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 27480330
5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one
CID 43629454
N-ethyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide
CID 55009765
N-butyl-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 55661878
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 55675633
N-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide
CID 60890469
2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60959362
N-butyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide
CID 60959811
6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide
CID 60959935
N-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide
CID 60959937

Frequently Asked Questions

What is the IUPAC name of 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide (CID 7828880) is 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide is CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)NCC(F)(F)F)c1.
What is the InChIKey of 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FHRMIJMSIVGJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O4S/c1-16(2)22(20,21)8-3-4-10(19)17(5-8)6-9(18)15-7-11(12,13)14/h3-5H,6-7H2,1-2H3,(H,15,18).
What are the key properties of 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 341.31 g/mol, XLogP of -0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 7828880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).