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

C6H7BrN2O3S — CID 67055865

IUPAC5-bromo-N-methyl-2-oxo-1H-pyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1cc(Br)c[nH]c1=O
InChIInChI=1S/C6H7BrN2O3S/c1-8-13(11,12)5-2-4(7)3-9-6(5)10/h2-3,8H,1H3,(H,9,10)
InChIKeyXOQOPDOCCVNUEM-UHFFFAOYSA-N
MW267.10 g/mol
LogP0.05
Rot. Bonds2

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

5-bromo-N-methyl-2-oxo-1H-pyridine-3-sulfonamide (PubChem CID 67055865) has the molecular formula C6H7BrN2O3S and a molecular weight of 267.10 g/mol. Its IUPAC name is 5-bromo-N-methyl-2-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-methyl-2-oxo-1H-pyridine-3-sulfonamide
PubChem CID67055865
Molecular FormulaC6H7BrN2O3S
Molecular Weight267.10 g/mol
Exact Mass265.94
IUPAC Name5-bromo-N-methyl-2-oxo-1H-pyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1cc(Br)c[nH]c1=O
InChIInChI=1S/C6H7BrN2O3S/c1-8-13(11,12)5-2-4(7)3-9-6(5)10/h2-3,8H,1H3,(H,9,10)
InChIKeyXOQOPDOCCVNUEM-UHFFFAOYSA-N
XLogP0.05
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.10
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-2-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-methyl-2-oxo-1H-pyridine-3-sulfonamide (CID 67055865) is 5-bromo-N-methyl-2-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-methyl-2-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-methyl-2-oxo-1H-pyridine-3-sulfonamide is CNS(=O)(=O)c1cc(Br)c[nH]c1=O.
What is the InChIKey of 5-bromo-N-methyl-2-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is XOQOPDOCCVNUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O3S/c1-8-13(11,12)5-2-4(7)3-9-6(5)10/h2-3,8H,1H3,(H,9,10).
What are the key properties of 5-bromo-N-methyl-2-oxo-1H-pyridine-3-sulfonamide?
5-bromo-N-methyl-2-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 267.10 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-2-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 67055865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).