2-amino-5-bromo-N-(2-methylsulfanylphenyl)pyridine-3-sulfonamide

C12H12BrN3O2S2 — CID 103766525

IUPAC2-amino-5-bromo-N-(2-methylsulfanylphenyl)pyridine-3-sulfonamide
SMILESCSc1ccccc1NS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C12H12BrN3O2S2/c1-19-10-5-3-2-4-9(10)16-20(17,18)11-6-8(13)7-15-12(11)14/h2-7,16H,1H3,(H2,14,15)
InChIKeyVYWHYBAAGXINAX-UHFFFAOYSA-N
MW374.29 g/mol
LogP2.95
Rot. Bonds4

About 2-amino-5-bromo-N-(2-methylsulfanylphenyl)pyridine-3-sulfonamide

2-amino-5-bromo-N-(2-methylsulfanylphenyl)pyridine-3-sulfonamide (PubChem CID 103766525) has the molecular formula C12H12BrN3O2S2 and a molecular weight of 374.29 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(2-methylsulfanylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(2-methylsulfanylphenyl)pyridine-3-sulfonamide
PubChem CID103766525
Molecular FormulaC12H12BrN3O2S2
Molecular Weight374.29 g/mol
Exact Mass372.96
IUPAC Name2-amino-5-bromo-N-(2-methylsulfanylphenyl)pyridine-3-sulfonamide
SMILESCSc1ccccc1NS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C12H12BrN3O2S2/c1-19-10-5-3-2-4-9(10)16-20(17,18)11-6-8(13)7-15-12(11)14/h2-7,16H,1H3,(H2,14,15)
InChIKeyVYWHYBAAGXINAX-UHFFFAOYSA-N
XLogP2.95
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.29
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-bromo-N-(2-fluoro-4-methylphenyl)pyridine-3-sulfonamide
CID 62162619
2-amino-5-bromo-N-(5-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 62143669
2-amino-5-bromo-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 22515848
2-amino-5-bromo-N-pyridin-2-ylpyridine-3-sulfonamide
CID 55044230
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
2-amino-5-bromo-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 62156932
2-amino-5-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide
CID 103844082
5-bromo-2-chloro-N-(2-ethylsulfanylphenyl)pyridine-3-sulfonamide
CID 61298508
2-amino-5-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 62163149
2-amino-5-bromo-N-(2,4-dimethoxyphenyl)pyridine-3-sulfonamide
CID 22515844
2-amino-5-bromo-N-(2-bromo-5-chloro-4-methylphenyl)pyridine-3-sulfonamide
CID 104725117

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(2-methylsulfanylphenyl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(2-methylsulfanylphenyl)pyridine-3-sulfonamide (CID 103766525) is 2-amino-5-bromo-N-(2-methylsulfanylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(2-methylsulfanylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(2-methylsulfanylphenyl)pyridine-3-sulfonamide is CSc1ccccc1NS(=O)(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-amino-5-bromo-N-(2-methylsulfanylphenyl)pyridine-3-sulfonamide?
The InChIKey is VYWHYBAAGXINAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2S2/c1-19-10-5-3-2-4-9(10)16-20(17,18)11-6-8(13)7-15-12(11)14/h2-7,16H,1H3,(H2,14,15).
What are the key properties of 2-amino-5-bromo-N-(2-methylsulfanylphenyl)pyridine-3-sulfonamide?
2-amino-5-bromo-N-(2-methylsulfanylphenyl)pyridine-3-sulfonamide has a molecular weight of 374.29 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(2-methylsulfanylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 103766525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).