N-(2,2-difluoroethylsulfonyl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide

C9H10F2N2O4S — CID 146107281

IUPACN-(2,2-difluoroethylsulfonyl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide
SMILESCc1cc(C(=O)NS(=O)(=O)CC(F)F)cc(=O)[nH]1
InChIInChI=1S/C9H10F2N2O4S/c1-5-2-6(3-8(14)12-5)9(15)13-18(16,17)4-7(10)11/h2-3,7H,4H2,1H3,(H,12,14)(H,13,15)
InChIKeyBMHJMYSOSGWNDE-UHFFFAOYSA-N
MW280.25 g/mol
LogP0.01
Rot. Bonds4

About N-(2,2-difluoroethylsulfonyl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide

N-(2,2-difluoroethylsulfonyl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 146107281) has the molecular formula C9H10F2N2O4S and a molecular weight of 280.25 g/mol. Its IUPAC name is N-(2,2-difluoroethylsulfonyl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethylsulfonyl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide
PubChem CID146107281
Molecular FormulaC9H10F2N2O4S
Molecular Weight280.25 g/mol
Exact Mass280.03
IUPAC NameN-(2,2-difluoroethylsulfonyl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide
SMILESCc1cc(C(=O)NS(=O)(=O)CC(F)F)cc(=O)[nH]1
InChIInChI=1S/C9H10F2N2O4S/c1-5-2-6(3-8(14)12-5)9(15)13-18(16,17)4-7(10)11/h2-3,7H,4H2,1H3,(H,12,14)(H,13,15)
InChIKeyBMHJMYSOSGWNDE-UHFFFAOYSA-N
XLogP0.01
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethylsulfonyl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-(2,2-difluoroethylsulfonyl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide (CID 146107281) is N-(2,2-difluoroethylsulfonyl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethylsulfonyl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-(2,2-difluoroethylsulfonyl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide is Cc1cc(C(=O)NS(=O)(=O)CC(F)F)cc(=O)[nH]1.
What is the InChIKey of N-(2,2-difluoroethylsulfonyl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is BMHJMYSOSGWNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O4S/c1-5-2-6(3-8(14)12-5)9(15)13-18(16,17)4-7(10)11/h2-3,7H,4H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N-(2,2-difluoroethylsulfonyl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide?
N-(2,2-difluoroethylsulfonyl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 280.25 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethylsulfonyl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 146107281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).