3-bromopyridine-4-sulfonamide

C5H5BrN2O2S — CID 139594057

IUPAC3-bromopyridine-4-sulfonamide
SMILESNS(=O)(=O)c1ccncc1Br
InChIInChI=1S/C5H5BrN2O2S/c6-4-3-8-2-1-5(4)11(7,9)10/h1-3H,(H2,7,9,10)
InChIKeyLJRDNGHHGADUEP-UHFFFAOYSA-N
MW237.08 g/mol
LogP0.49
Rot. Bonds1

About 3-bromopyridine-4-sulfonamide

3-bromopyridine-4-sulfonamide (PubChem CID 139594057) has the molecular formula C5H5BrN2O2S and a molecular weight of 237.08 g/mol. Its IUPAC name is 3-bromopyridine-4-sulfonamide.

Molecular Properties

Compound Name3-bromopyridine-4-sulfonamide
PubChem CID139594057
Molecular FormulaC5H5BrN2O2S
Molecular Weight237.08 g/mol
Exact Mass235.93
IUPAC Name3-bromopyridine-4-sulfonamide
SMILESNS(=O)(=O)c1ccncc1Br
InChIInChI=1S/C5H5BrN2O2S/c6-4-3-8-2-1-5(4)11(7,9)10/h1-3H,(H2,7,9,10)
InChIKeyLJRDNGHHGADUEP-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

Analyze 3-bromopyridine-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromopyridine-4-sulfonamide?
The IUPAC name of 3-bromopyridine-4-sulfonamide (CID 139594057) is 3-bromopyridine-4-sulfonamide.
What is the SMILES notation for 3-bromopyridine-4-sulfonamide?
The canonical SMILES for 3-bromopyridine-4-sulfonamide is NS(=O)(=O)c1ccncc1Br.
What is the InChIKey of 3-bromopyridine-4-sulfonamide?
The InChIKey is LJRDNGHHGADUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2O2S/c6-4-3-8-2-1-5(4)11(7,9)10/h1-3H,(H2,7,9,10).
What are the key properties of 3-bromopyridine-4-sulfonamide?
3-bromopyridine-4-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 3-bromopyridine-4-sulfonamide is sourced from PubChem (CID 139594057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).