5-bromo-6-chloropyridine-3-sulfonamide

C5H4BrClN2O2S — CID 4730022

IUPAC5-bromo-6-chloropyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C5H4BrClN2O2S/c6-4-1-3(12(8,10)11)2-9-5(4)7/h1-2H,(H2,8,10,11)
InChIKeyXAWYSMUSUNJJKM-UHFFFAOYSA-N
MW271.52 g/mol
LogP1.14
Rot. Bonds1

About 5-bromo-6-chloropyridine-3-sulfonamide

5-bromo-6-chloropyridine-3-sulfonamide (PubChem CID 4730022) has the molecular formula C5H4BrClN2O2S and a molecular weight of 271.52 g/mol. Its IUPAC name is 5-bromo-6-chloropyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-6-chloropyridine-3-sulfonamide
PubChem CID4730022
Molecular FormulaC5H4BrClN2O2S
Molecular Weight271.52 g/mol
Exact Mass269.89
IUPAC Name5-bromo-6-chloropyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C5H4BrClN2O2S/c6-4-1-3(12(8,10)11)2-9-5(4)7/h1-2H,(H2,8,10,11)
InChIKeyXAWYSMUSUNJJKM-UHFFFAOYSA-N
XLogP1.14
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.52
LogP ≤ 51.14
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 5-bromo-6-chloropyridine-3-sulfonamide?
The IUPAC name of 5-bromo-6-chloropyridine-3-sulfonamide (CID 4730022) is 5-bromo-6-chloropyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-6-chloropyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-6-chloropyridine-3-sulfonamide is NS(=O)(=O)c1cnc(Cl)c(Br)c1.
What is the InChIKey of 5-bromo-6-chloropyridine-3-sulfonamide?
The InChIKey is XAWYSMUSUNJJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrClN2O2S/c6-4-1-3(12(8,10)11)2-9-5(4)7/h1-2H,(H2,8,10,11).
What are the key properties of 5-bromo-6-chloropyridine-3-sulfonamide?
5-bromo-6-chloropyridine-3-sulfonamide has a molecular weight of 271.52 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloropyridine-3-sulfonamide is sourced from PubChem (CID 4730022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).