6-bromopyridine-2-sulfonamide

C5H5BrN2O2S — CID 57345816

IUPAC6-bromopyridine-2-sulfonamide
SMILESNS(=O)(=O)c1cccc(Br)n1
InChIInChI=1S/C5H5BrN2O2S/c6-4-2-1-3-5(8-4)11(7,9)10/h1-3H,(H2,7,9,10)
InChIKeyWAYSQXHNUWIYPM-UHFFFAOYSA-N
MW237.08 g/mol
LogP0.49
Rot. Bonds1

About 6-bromopyridine-2-sulfonamide

6-bromopyridine-2-sulfonamide (PubChem CID 57345816) has the molecular formula C5H5BrN2O2S and a molecular weight of 237.08 g/mol. Its IUPAC name is 6-bromopyridine-2-sulfonamide.

Molecular Properties

Compound Name6-bromopyridine-2-sulfonamide
PubChem CID57345816
Molecular FormulaC5H5BrN2O2S
Molecular Weight237.08 g/mol
Exact Mass235.93
IUPAC Name6-bromopyridine-2-sulfonamide
SMILESNS(=O)(=O)c1cccc(Br)n1
InChIInChI=1S/C5H5BrN2O2S/c6-4-2-1-3-5(8-4)11(7,9)10/h1-3H,(H2,7,9,10)
InChIKeyWAYSQXHNUWIYPM-UHFFFAOYSA-N
XLogP0.49
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.08
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromopyridine-2-sulfonamide?
The IUPAC name of 6-bromopyridine-2-sulfonamide (CID 57345816) is 6-bromopyridine-2-sulfonamide.
What is the SMILES notation for 6-bromopyridine-2-sulfonamide?
The canonical SMILES for 6-bromopyridine-2-sulfonamide is NS(=O)(=O)c1cccc(Br)n1.
What is the InChIKey of 6-bromopyridine-2-sulfonamide?
The InChIKey is WAYSQXHNUWIYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2O2S/c6-4-2-1-3-5(8-4)11(7,9)10/h1-3H,(H2,7,9,10).
What are the key properties of 6-bromopyridine-2-sulfonamide?
6-bromopyridine-2-sulfonamide has a molecular weight of 237.08 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromopyridine-2-sulfonamide is sourced from PubChem (CID 57345816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).