2-chloro-N-(2,6-dibromo-4-methylphenyl)pyridine-4-sulfonamide

C12H9Br2ClN2O2S — CID 61004569

IUPAC2-chloro-N-(2,6-dibromo-4-methylphenyl)pyridine-4-sulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)c2ccnc(Cl)c2)c(Br)c1
InChIInChI=1S/C12H9Br2ClN2O2S/c1-7-4-9(13)12(10(14)5-7)17-20(18,19)8-2-3-16-11(15)6-8/h2-6,17H,1H3
InChIKeyUWXFXODFYJDGNG-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.37
Rot. Bonds3

About 2-chloro-N-(2,6-dibromo-4-methylphenyl)pyridine-4-sulfonamide

2-chloro-N-(2,6-dibromo-4-methylphenyl)pyridine-4-sulfonamide (PubChem CID 61004569) has the molecular formula C12H9Br2ClN2O2S and a molecular weight of 440.54 g/mol. Its IUPAC name is 2-chloro-N-(2,6-dibromo-4-methylphenyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2,6-dibromo-4-methylphenyl)pyridine-4-sulfonamide
PubChem CID61004569
Molecular FormulaC12H9Br2ClN2O2S
Molecular Weight440.54 g/mol
Exact Mass437.84
IUPAC Name2-chloro-N-(2,6-dibromo-4-methylphenyl)pyridine-4-sulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)c2ccnc(Cl)c2)c(Br)c1
InChIInChI=1S/C12H9Br2ClN2O2S/c1-7-4-9(13)12(10(14)5-7)17-20(18,19)8-2-3-16-11(15)6-8/h2-6,17H,1H3
InChIKeyUWXFXODFYJDGNG-UHFFFAOYSA-N
XLogP4.37
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.37
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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Related Compounds

2-chloro-N-(3-methylphenyl)pyridine-4-sulfonamide
CID 54895572
N-(5-bromo-4-methyl-2-pyridinyl)-2-chloropyridine-4-sulfonamide
CID 79734611
2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-sulfonamide
CID 61053156
2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-4-sulfonamide
CID 82819125
2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyridine-4-sulfonamide
CID 61042421
N-(2-bromo-4-fluorophenyl)-2-chloropyridine-4-sulfonamide
CID 54895435
2-chloro-N-(2-fluoro-4-methylphenyl)pyridine-4-sulfonamide
CID 54896062
N-(2,6-dibromo-4-methylphenyl)benzenesulfonamide
CID 60640316
2-chloro-N-(3-chloro-2-methylphenyl)pyridine-4-sulfonamide
CID 54895530
N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropyridine-4-sulfonamide
CID 61053133
2-amino-N-(2,6-dibromophenyl)pyridine-4-sulfonamide
CID 107603165
2-chloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-4-sulfonamide
CID 107573404

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,6-dibromo-4-methylphenyl)pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-(2,6-dibromo-4-methylphenyl)pyridine-4-sulfonamide (CID 61004569) is 2-chloro-N-(2,6-dibromo-4-methylphenyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2,6-dibromo-4-methylphenyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-(2,6-dibromo-4-methylphenyl)pyridine-4-sulfonamide is Cc1cc(Br)c(NS(=O)(=O)c2ccnc(Cl)c2)c(Br)c1.
What is the InChIKey of 2-chloro-N-(2,6-dibromo-4-methylphenyl)pyridine-4-sulfonamide?
The InChIKey is UWXFXODFYJDGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2ClN2O2S/c1-7-4-9(13)12(10(14)5-7)17-20(18,19)8-2-3-16-11(15)6-8/h2-6,17H,1H3.
What are the key properties of 2-chloro-N-(2,6-dibromo-4-methylphenyl)pyridine-4-sulfonamide?
2-chloro-N-(2,6-dibromo-4-methylphenyl)pyridine-4-sulfonamide has a molecular weight of 440.54 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,6-dibromo-4-methylphenyl)pyridine-4-sulfonamide is sourced from PubChem (CID 61004569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).