5-bromo-6-chloropyridine-3-sulfonamide;5-bromo-6-chloropyridine-3-sulfonyl chloride

C10H6Br2Cl3N3O4S2 — CID 158243562

IUPAC5-bromo-6-chloropyridine-3-sulfonamide;5-bromo-6-chloropyridine-3-sulfonyl chloride
SMILESNS(=O)(=O)c1cnc(Cl)c(Br)c1.O=S(=O)(Cl)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C5H2BrCl2NO2S.C5H4BrClN2O2S/c2*6-4-1-3(12(8,10)11)2-9-5(4)7/h1-2H;1-2H,(H2,8,10,11)
InChIKeyGFVRVQNAJJCHFH-UHFFFAOYSA-N
MW562.48 g/mol
LogP3.57
Rot. Bonds2

About 5-bromo-6-chloropyridine-3-sulfonamide;5-bromo-6-chloropyridine-3-sulfonyl chloride

5-bromo-6-chloropyridine-3-sulfonamide;5-bromo-6-chloropyridine-3-sulfonyl chloride (PubChem CID 158243562) has the molecular formula C10H6Br2Cl3N3O4S2 and a molecular weight of 562.48 g/mol. Its IUPAC name is 5-bromo-6-chloropyridine-3-sulfonamide;5-bromo-6-chloropyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name5-bromo-6-chloropyridine-3-sulfonamide;5-bromo-6-chloropyridine-3-sulfonyl chloride
PubChem CID158243562
Molecular FormulaC10H6Br2Cl3N3O4S2
Molecular Weight562.48 g/mol
Exact Mass558.72
IUPAC Name5-bromo-6-chloropyridine-3-sulfonamide;5-bromo-6-chloropyridine-3-sulfonyl chloride
SMILESNS(=O)(=O)c1cnc(Cl)c(Br)c1.O=S(=O)(Cl)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C5H2BrCl2NO2S.C5H4BrClN2O2S/c2*6-4-1-3(12(8,10)11)2-9-5(4)7/h1-2H;1-2H,(H2,8,10,11)
InChIKeyGFVRVQNAJJCHFH-UHFFFAOYSA-N
XLogP3.57
TPSA120.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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;5-bromo-6-chloropyridine-3-sulfonyl chloride?
The IUPAC name of 5-bromo-6-chloropyridine-3-sulfonamide;5-bromo-6-chloropyridine-3-sulfonyl chloride (CID 158243562) is 5-bromo-6-chloropyridine-3-sulfonamide;5-bromo-6-chloropyridine-3-sulfonyl chloride.
What is the SMILES notation for 5-bromo-6-chloropyridine-3-sulfonamide;5-bromo-6-chloropyridine-3-sulfonyl chloride?
The canonical SMILES for 5-bromo-6-chloropyridine-3-sulfonamide;5-bromo-6-chloropyridine-3-sulfonyl chloride is NS(=O)(=O)c1cnc(Cl)c(Br)c1.O=S(=O)(Cl)c1cnc(Cl)c(Br)c1.
What is the InChIKey of 5-bromo-6-chloropyridine-3-sulfonamide;5-bromo-6-chloropyridine-3-sulfonyl chloride?
The InChIKey is GFVRVQNAJJCHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BrCl2NO2S.C5H4BrClN2O2S/c2*6-4-1-3(12(8,10)11)2-9-5(4)7/h1-2H;1-2H,(H2,8,10,11).
What are the key properties of 5-bromo-6-chloropyridine-3-sulfonamide;5-bromo-6-chloropyridine-3-sulfonyl chloride?
5-bromo-6-chloropyridine-3-sulfonamide;5-bromo-6-chloropyridine-3-sulfonyl chloride has a molecular weight of 562.48 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloropyridine-3-sulfonamide;5-bromo-6-chloropyridine-3-sulfonyl chloride is sourced from PubChem (CID 158243562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).