2-amino-5-bromo-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide

C13H14BrN3O2S — CID 22515848

IUPAC2-amino-5-bromo-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C13H14BrN3O2S/c1-8-4-3-5-9(2)12(8)17-20(18,19)11-6-10(14)7-16-13(11)15/h3-7,17H,1-2H3,(H2,15,16)
InChIKeyCGIYLDGAIGWRLZ-UHFFFAOYSA-N
MW356.25 g/mol
LogP2.84
Rot. Bonds3

About 2-amino-5-bromo-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide

2-amino-5-bromo-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide (PubChem CID 22515848) has the molecular formula C13H14BrN3O2S and a molecular weight of 356.25 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide
PubChem CID22515848
Molecular FormulaC13H14BrN3O2S
Molecular Weight356.25 g/mol
Exact Mass355.00
IUPAC Name2-amino-5-bromo-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C13H14BrN3O2S/c1-8-4-3-5-9(2)12(8)17-20(18,19)11-6-10(14)7-16-13(11)15/h3-7,17H,1-2H3,(H2,15,16)
InChIKeyCGIYLDGAIGWRLZ-UHFFFAOYSA-N
XLogP2.84
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 62163149
2-amino-5-bromo-N-pyridin-2-ylpyridine-3-sulfonamide
CID 55044230
2-amino-5-bromo-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
CID 62145809
2-amino-5-bromo-N-(5-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 62143669
5-bromo-2-chloro-N-(2-chloro-6-methylphenyl)pyridine-3-sulfonamide
CID 66256091
2-amino-5-bromo-N-(3-iodophenyl)pyridine-3-sulfonamide
CID 55043820
3-amino-5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide
CID 114378635
2-amino-5-bromo-N-(2-methylsulfanylphenyl)pyridine-3-sulfonamide
CID 103766525
2-amino-5-bromo-N-(2-bromo-5-chloro-4-methylphenyl)pyridine-3-sulfonamide
CID 104725117
2-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 107593897
2-amino-5-bromo-N-(2-chloro-4-methylphenyl)pyridine-3-sulfonamide
CID 22515878
N-(3-acetylphenyl)-2-amino-5-bromopyridine-3-sulfonamide
CID 22515885

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide (CID 22515848) is 2-amino-5-bromo-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide is Cc1cccc(C)c1NS(=O)(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-amino-5-bromo-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide?
The InChIKey is CGIYLDGAIGWRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2S/c1-8-4-3-5-9(2)12(8)17-20(18,19)11-6-10(14)7-16-13(11)15/h3-7,17H,1-2H3,(H2,15,16).
What are the key properties of 2-amino-5-bromo-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide?
2-amino-5-bromo-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide has a molecular weight of 356.25 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 22515848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).