5-bromo-6-chloro-N-pyridin-4-ylpyridine-3-sulfonamide

C10H7BrClN3O2S — CID 4729992

IUPAC5-bromo-6-chloro-N-pyridin-4-ylpyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccncc1)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C10H7BrClN3O2S/c11-9-5-8(6-14-10(9)12)18(16,17)15-7-1-3-13-4-2-7/h1-6H,(H,13,15)
InChIKeyFVAWBHZDWDSZGX-UHFFFAOYSA-N
MW348.61 g/mol
LogP2.69
Rot. Bonds3

About 5-bromo-6-chloro-N-pyridin-4-ylpyridine-3-sulfonamide

5-bromo-6-chloro-N-pyridin-4-ylpyridine-3-sulfonamide (PubChem CID 4729992) has the molecular formula C10H7BrClN3O2S and a molecular weight of 348.61 g/mol. Its IUPAC name is 5-bromo-6-chloro-N-pyridin-4-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-6-chloro-N-pyridin-4-ylpyridine-3-sulfonamide
PubChem CID4729992
Molecular FormulaC10H7BrClN3O2S
Molecular Weight348.61 g/mol
Exact Mass346.91
IUPAC Name5-bromo-6-chloro-N-pyridin-4-ylpyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccncc1)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C10H7BrClN3O2S/c11-9-5-8(6-14-10(9)12)18(16,17)15-7-1-3-13-4-2-7/h1-6H,(H,13,15)
InChIKeyFVAWBHZDWDSZGX-UHFFFAOYSA-N
XLogP2.69
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.61
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[4-[4-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]phenyl]sulfonylphenyl]-6-chloropyridine-3-sulfonamide
CID 4730144
5-bromo-6-chloro-N-(4-phenyldiazenylphenyl)pyridine-3-sulfonamide
CID 4730055
5-bromo-6-chloro-N-propan-2-ylpyridine-3-sulfonamide
CID 826872
4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 105055682
5-bromo-N-(5-bromo-3-hydroxy-2-pyridinyl)-6-chloropyridine-3-sulfonamide
CID 86582215
N-(5-bromo-6-chloro-3-pyridinyl)-3,5-difluorobenzenesulfonamide
CID 104826709
5-bromo-6-chloro-N'-(4-methylphenyl)sulfonylpyridine-3-sulfonohydrazide
CID 4730121
5-bromo-6-chloro-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide
CID 4729984
4-bromo-3-methoxy-N-pyridin-4-ylbenzenesulfonamide
CID 6471140
5-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 4730084
N-(5-bromo-6-chloro-3-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 105055698
4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzenesulfonamide
CID 103744901

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-N-pyridin-4-ylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-6-chloro-N-pyridin-4-ylpyridine-3-sulfonamide (CID 4729992) is 5-bromo-6-chloro-N-pyridin-4-ylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-6-chloro-N-pyridin-4-ylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-6-chloro-N-pyridin-4-ylpyridine-3-sulfonamide is O=S(=O)(Nc1ccncc1)c1cnc(Cl)c(Br)c1.
What is the InChIKey of 5-bromo-6-chloro-N-pyridin-4-ylpyridine-3-sulfonamide?
The InChIKey is FVAWBHZDWDSZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClN3O2S/c11-9-5-8(6-14-10(9)12)18(16,17)15-7-1-3-13-4-2-7/h1-6H,(H,13,15).
What are the key properties of 5-bromo-6-chloro-N-pyridin-4-ylpyridine-3-sulfonamide?
5-bromo-6-chloro-N-pyridin-4-ylpyridine-3-sulfonamide has a molecular weight of 348.61 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-N-pyridin-4-ylpyridine-3-sulfonamide is sourced from PubChem (CID 4729992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).