2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]-N-(2,2,2-trifluoroethyl)acetamide

C10H12F3N3O4S — CID 60959362

IUPAC2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H12F3N3O4S/c1-16(5-9(18)15-6-10(11,12)13)21(19,20)7-2-3-8(17)14-4-7/h2-4H,5-6H2,1H3,(H,14,17)(H,15,18)
InChIKeyKJPDNRKZFJOMBM-UHFFFAOYSA-N
MW327.28 g/mol
LogP-0.33
Rot. Bonds5

About 2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60959362) has the molecular formula C10H12F3N3O4S and a molecular weight of 327.28 g/mol. Its IUPAC name is 2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60959362
Molecular FormulaC10H12F3N3O4S
Molecular Weight327.28 g/mol
Exact Mass327.05
IUPAC Name2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H12F3N3O4S/c1-16(5-9(18)15-6-10(11,12)13)21(19,20)7-2-3-8(17)14-4-7/h2-4H,5-6H2,1H3,(H,14,17)(H,15,18)
InChIKeyKJPDNRKZFJOMBM-UHFFFAOYSA-N
XLogP-0.33
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 60959362) is 2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(=O)NCC(F)(F)F)S(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of 2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is KJPDNRKZFJOMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O4S/c1-16(5-9(18)15-6-10(11,12)13)21(19,20)7-2-3-8(17)14-4-7/h2-4H,5-6H2,1H3,(H,14,17)(H,15,18).
What are the key properties of 2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 327.28 g/mol, XLogP of -0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60959362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).