5-bromopyridine-3-sulfonamide

C5H5BrN2O2S — CID 12684258

IUPAC5-bromopyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C5H5BrN2O2S/c6-4-1-5(3-8-2-4)11(7,9)10/h1-3H,(H2,7,9,10)
InChIKeyZJAYGKNATMSZHZ-UHFFFAOYSA-N
MW237.08 g/mol
LogP0.49
Rot. Bonds1

About 5-bromopyridine-3-sulfonamide

5-bromopyridine-3-sulfonamide (PubChem CID 12684258) has the molecular formula C5H5BrN2O2S and a molecular weight of 237.08 g/mol. Its IUPAC name is 5-bromopyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromopyridine-3-sulfonamide
PubChem CID12684258
Molecular FormulaC5H5BrN2O2S
Molecular Weight237.08 g/mol
Exact Mass235.93
IUPAC Name5-bromopyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C5H5BrN2O2S/c6-4-1-5(3-8-2-4)11(7,9)10/h1-3H,(H2,7,9,10)
InChIKeyZJAYGKNATMSZHZ-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

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Frequently Asked Questions

What is the IUPAC name of 5-bromopyridine-3-sulfonamide?
The IUPAC name of 5-bromopyridine-3-sulfonamide (CID 12684258) is 5-bromopyridine-3-sulfonamide.
What is the SMILES notation for 5-bromopyridine-3-sulfonamide?
The canonical SMILES for 5-bromopyridine-3-sulfonamide is NS(=O)(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromopyridine-3-sulfonamide?
The InChIKey is ZJAYGKNATMSZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2O2S/c6-4-1-5(3-8-2-4)11(7,9)10/h1-3H,(H2,7,9,10).
What are the key properties of 5-bromopyridine-3-sulfonamide?
5-bromopyridine-3-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 5-bromopyridine-3-sulfonamide is sourced from PubChem (CID 12684258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).