5-bromo-2-chloro-N-methylpyridine-3-sulfonamide

C6H6BrClN2O2S — CID 61059658

IUPAC5-bromo-2-chloro-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C6H6BrClN2O2S/c1-9-13(11,12)5-2-4(7)3-10-6(5)8/h2-3,9H,1H3
InChIKeyJCIZELMEHAIVAZ-UHFFFAOYSA-N
MW285.55 g/mol
LogP1.41
Rot. Bonds2

About 5-bromo-2-chloro-N-methylpyridine-3-sulfonamide

5-bromo-2-chloro-N-methylpyridine-3-sulfonamide (PubChem CID 61059658) has the molecular formula C6H6BrClN2O2S and a molecular weight of 285.55 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-methylpyridine-3-sulfonamide
PubChem CID61059658
Molecular FormulaC6H6BrClN2O2S
Molecular Weight285.55 g/mol
Exact Mass283.90
IUPAC Name5-bromo-2-chloro-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C6H6BrClN2O2S/c1-9-13(11,12)5-2-4(7)3-10-6(5)8/h2-3,9H,1H3
InChIKeyJCIZELMEHAIVAZ-UHFFFAOYSA-N
XLogP1.41
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.55
LogP ≤ 51.41
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

5-bromo-2-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62148821
5-bromo-2-chloro-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide
CID 61300253
5-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-chloropyridine-3-sulfonamide
CID 107573390
3-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-N-methylpropanamide
CID 61059689
5-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102904953
5-bromo-2-chloro-N-(3-methylcyclobutyl)pyridine-3-sulfonamide
CID 115672191
2-chloro-N-methyl-5-(trifluoromethyl)pyridine-3-sulfonamide
CID 162420965
5-bromo-2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-3-sulfonamide
CID 114009086
5-bromo-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-3-sulfonamide
CID 78966663
methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]acetate
CID 61060282
5-bromo-2-chloro-N-(3-methylbut-2-enyl)pyridine-3-sulfonamide
CID 103526952
5-bromo-2-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide
CID 61301034

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-methylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-methylpyridine-3-sulfonamide (CID 61059658) is 5-bromo-2-chloro-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-methylpyridine-3-sulfonamide is CNS(=O)(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-methylpyridine-3-sulfonamide?
The InChIKey is JCIZELMEHAIVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrClN2O2S/c1-9-13(11,12)5-2-4(7)3-10-6(5)8/h2-3,9H,1H3.
What are the key properties of 5-bromo-2-chloro-N-methylpyridine-3-sulfonamide?
5-bromo-2-chloro-N-methylpyridine-3-sulfonamide has a molecular weight of 285.55 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 61059658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).