5-bromo-N-ethyl-N-methyl-2-oxo-1H-pyridine-3-sulfonamide

C8H11BrN2O3S — CID 115119230

IUPAC5-bromo-N-ethyl-N-methyl-2-oxo-1H-pyridine-3-sulfonamide
SMILESCCN(C)S(=O)(=O)c1cc(Br)c[nH]c1=O
InChIInChI=1S/C8H11BrN2O3S/c1-3-11(2)15(13,14)7-4-6(9)5-10-8(7)12/h4-5H,3H2,1-2H3,(H,10,12)
InChIKeyVKXZHQMOOXCOQK-UHFFFAOYSA-N
MW295.16 g/mol
LogP0.78
Rot. Bonds3

About 5-bromo-N-ethyl-N-methyl-2-oxo-1H-pyridine-3-sulfonamide

5-bromo-N-ethyl-N-methyl-2-oxo-1H-pyridine-3-sulfonamide (PubChem CID 115119230) has the molecular formula C8H11BrN2O3S and a molecular weight of 295.16 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N-methyl-2-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-N-methyl-2-oxo-1H-pyridine-3-sulfonamide
PubChem CID115119230
Molecular FormulaC8H11BrN2O3S
Molecular Weight295.16 g/mol
Exact Mass293.97
IUPAC Name5-bromo-N-ethyl-N-methyl-2-oxo-1H-pyridine-3-sulfonamide
SMILESCCN(C)S(=O)(=O)c1cc(Br)c[nH]c1=O
InChIInChI=1S/C8H11BrN2O3S/c1-3-11(2)15(13,14)7-4-6(9)5-10-8(7)12/h4-5H,3H2,1-2H3,(H,10,12)
InChIKeyVKXZHQMOOXCOQK-UHFFFAOYSA-N
XLogP0.78
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-N-methyl-2-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-ethyl-N-methyl-2-oxo-1H-pyridine-3-sulfonamide (CID 115119230) is 5-bromo-N-ethyl-N-methyl-2-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-ethyl-N-methyl-2-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-ethyl-N-methyl-2-oxo-1H-pyridine-3-sulfonamide is CCN(C)S(=O)(=O)c1cc(Br)c[nH]c1=O.
What is the InChIKey of 5-bromo-N-ethyl-N-methyl-2-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is VKXZHQMOOXCOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O3S/c1-3-11(2)15(13,14)7-4-6(9)5-10-8(7)12/h4-5H,3H2,1-2H3,(H,10,12).
What are the key properties of 5-bromo-N-ethyl-N-methyl-2-oxo-1H-pyridine-3-sulfonamide?
5-bromo-N-ethyl-N-methyl-2-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 295.16 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-N-methyl-2-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 115119230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).