5-bromo-6-chloro-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide

C8H5BrClN3O2S2 — CID 1236940

IUPAC5-bromo-6-chloro-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1nccs1)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C8H5BrClN3O2S2/c9-6-3-5(4-12-7(6)10)17(14,15)13-8-11-1-2-16-8/h1-4H,(H,11,13)
InChIKeyUGPDLZRZDOLVEJ-UHFFFAOYSA-N
MW354.64 g/mol
LogP2.75
Rot. Bonds3

About 5-bromo-6-chloro-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide

5-bromo-6-chloro-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide (PubChem CID 1236940) has the molecular formula C8H5BrClN3O2S2 and a molecular weight of 354.64 g/mol. Its IUPAC name is 5-bromo-6-chloro-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-6-chloro-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide
PubChem CID1236940
Molecular FormulaC8H5BrClN3O2S2
Molecular Weight354.64 g/mol
Exact Mass352.87
IUPAC Name5-bromo-6-chloro-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1nccs1)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C8H5BrClN3O2S2/c9-6-3-5(4-12-7(6)10)17(14,15)13-8-11-1-2-16-8/h1-4H,(H,11,13)
InChIKeyUGPDLZRZDOLVEJ-UHFFFAOYSA-N
XLogP2.75
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.64
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-chloro-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-6-chloro-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide (CID 1236940) is 5-bromo-6-chloro-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-6-chloro-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-6-chloro-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide is O=S(=O)(Nc1nccs1)c1cnc(Cl)c(Br)c1.
What is the InChIKey of 5-bromo-6-chloro-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide?
The InChIKey is UGPDLZRZDOLVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClN3O2S2/c9-6-3-5(4-12-7(6)10)17(14,15)13-8-11-1-2-16-8/h1-4H,(H,11,13).
What are the key properties of 5-bromo-6-chloro-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide?
5-bromo-6-chloro-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide has a molecular weight of 354.64 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 1236940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).