5-bromo-N-methylpyridine-3-sulfonamide

C6H7BrN2O2S — CID 46738979

IUPAC5-bromo-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C6H7BrN2O2S/c1-8-12(10,11)6-2-5(7)3-9-4-6/h2-4,8H,1H3
InChIKeySNFZSCOGEYEYJG-UHFFFAOYSA-N
MW251.11 g/mol
LogP0.75
Rot. Bonds2

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

5-bromo-N-methylpyridine-3-sulfonamide (PubChem CID 46738979) has the molecular formula C6H7BrN2O2S and a molecular weight of 251.11 g/mol. Its IUPAC name is 5-bromo-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-methylpyridine-3-sulfonamide
PubChem CID46738979
Molecular FormulaC6H7BrN2O2S
Molecular Weight251.11 g/mol
Exact Mass249.94
IUPAC Name5-bromo-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C6H7BrN2O2S/c1-8-12(10,11)6-2-5(7)3-9-4-6/h2-4,8H,1H3
InChIKeySNFZSCOGEYEYJG-UHFFFAOYSA-N
XLogP0.75
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.11
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-ethoxypyridine-3-sulfonamide
CID 64973872
5-bromopyridine-3-sulfonyl chloride;ethane
CID 143729896
5-bromo-N-[2-(ethylamino)ethyl]pyridine-3-sulfonamide
CID 62665108
5-bromo-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide
CID 115596600
5-bromo-N-(1-chloropropan-2-yl)pyridine-3-sulfonamide
CID 65030603
5-bromo-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide
CID 76848572
5-bromo-N-(2-cyclopropylpropan-2-yl)pyridine-3-sulfonamide
CID 103697703
3-[(5-bromo-3-pyridinyl)sulfonylamino]-N-ethylpropanamide
CID 113411019
5-bromo-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
CID 65110693
5-bromo-N-piperidin-1-ylpyridine-3-sulfonamide
CID 83023056
5-bromo-N-(2-bromo-3-ethylpentyl)pyridine-3-sulfonamide
CID 106288581
5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)pyridine-3-sulfonamide
CID 64557037

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-methylpyridine-3-sulfonamide (CID 46738979) is 5-bromo-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-methylpyridine-3-sulfonamide is CNS(=O)(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-methylpyridine-3-sulfonamide?
The InChIKey is SNFZSCOGEYEYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O2S/c1-8-12(10,11)6-2-5(7)3-9-4-6/h2-4,8H,1H3.
What are the key properties of 5-bromo-N-methylpyridine-3-sulfonamide?
5-bromo-N-methylpyridine-3-sulfonamide has a molecular weight of 251.11 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 46738979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).