5-bromo-N-(5-bromo-3-hydroxy-2-pyridinyl)-6-chloropyridine-3-sulfonamide

C10H6Br2ClN3O3S — CID 86582215

IUPAC5-bromo-N-(5-bromo-3-hydroxy-2-pyridinyl)-6-chloropyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ncc(Br)cc1O)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C10H6Br2ClN3O3S/c11-5-1-8(17)10(15-3-5)16-20(18,19)6-2-7(12)9(13)14-4-6/h1-4,17H,(H,15,16)
InChIKeyPLSGXJHCYCFCOP-UHFFFAOYSA-N
MW443.50 g/mol
LogP3.16
Rot. Bonds3

About 5-bromo-N-(5-bromo-3-hydroxy-2-pyridinyl)-6-chloropyridine-3-sulfonamide

5-bromo-N-(5-bromo-3-hydroxy-2-pyridinyl)-6-chloropyridine-3-sulfonamide (PubChem CID 86582215) has the molecular formula C10H6Br2ClN3O3S and a molecular weight of 443.50 g/mol. Its IUPAC name is 5-bromo-N-(5-bromo-3-hydroxy-2-pyridinyl)-6-chloropyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(5-bromo-3-hydroxy-2-pyridinyl)-6-chloropyridine-3-sulfonamide
PubChem CID86582215
Molecular FormulaC10H6Br2ClN3O3S
Molecular Weight443.50 g/mol
Exact Mass440.82
IUPAC Name5-bromo-N-(5-bromo-3-hydroxy-2-pyridinyl)-6-chloropyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ncc(Br)cc1O)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C10H6Br2ClN3O3S/c11-5-1-8(17)10(15-3-5)16-20(18,19)6-2-7(12)9(13)14-4-6/h1-4,17H,(H,15,16)
InChIKeyPLSGXJHCYCFCOP-UHFFFAOYSA-N
XLogP3.16
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(5-chloro-3-hydroxy-2-pyridinyl)-6-(dimethylamino)pyridine-3-sulfonamide
CID 86581034
5-bromo-2-[(5-bromo-6-chloro-3-pyridinyl)sulfonylmethyl]pyridin-3-ol
CID 153152215
5-bromo-6-chloro-N-propan-2-ylpyridine-3-sulfonamide
CID 826872
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-pyridin-4-ylpyridine-3-sulfonamide
CID 4729992
5-bromo-6-chloro-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide
CID 4729984
5-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 4730084
5-bromo-6-chloropyridine-3-sulfonamide;5-bromo-6-chloropyridine-3-sulfonyl chloride
CID 158243562
5-bromo-6-chloro-N-(4-phenyldiazenylphenyl)pyridine-3-sulfonamide
CID 4730055
5-bromo-6-chloro-N'-(4-methylphenyl)sulfonylpyridine-3-sulfonohydrazide
CID 4730121
5-bromo-N-(3-chloropyrazin-2-yl)pyridine-3-sulfonamide
CID 102989888
5-bromo-6-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-sulfonamide
CID 74224289

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-bromo-3-hydroxy-2-pyridinyl)-6-chloropyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(5-bromo-3-hydroxy-2-pyridinyl)-6-chloropyridine-3-sulfonamide (CID 86582215) is 5-bromo-N-(5-bromo-3-hydroxy-2-pyridinyl)-6-chloropyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(5-bromo-3-hydroxy-2-pyridinyl)-6-chloropyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(5-bromo-3-hydroxy-2-pyridinyl)-6-chloropyridine-3-sulfonamide is O=S(=O)(Nc1ncc(Br)cc1O)c1cnc(Cl)c(Br)c1.
What is the InChIKey of 5-bromo-N-(5-bromo-3-hydroxy-2-pyridinyl)-6-chloropyridine-3-sulfonamide?
The InChIKey is PLSGXJHCYCFCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2ClN3O3S/c11-5-1-8(17)10(15-3-5)16-20(18,19)6-2-7(12)9(13)14-4-6/h1-4,17H,(H,15,16).
What are the key properties of 5-bromo-N-(5-bromo-3-hydroxy-2-pyridinyl)-6-chloropyridine-3-sulfonamide?
5-bromo-N-(5-bromo-3-hydroxy-2-pyridinyl)-6-chloropyridine-3-sulfonamide has a molecular weight of 443.50 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-bromo-3-hydroxy-2-pyridinyl)-6-chloropyridine-3-sulfonamide is sourced from PubChem (CID 86582215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).