2-amino-N-(2-bromo-5-methylphenyl)pyridine-4-sulfonamide

C12H12BrN3O2S — CID 82758264

IUPAC2-amino-N-(2-bromo-5-methylphenyl)pyridine-4-sulfonamide
SMILESCc1ccc(Br)c(NS(=O)(=O)c2ccnc(N)c2)c1
InChIInChI=1S/C12H12BrN3O2S/c1-8-2-3-10(13)11(6-8)16-19(17,18)9-4-5-15-12(14)7-9/h2-7,16H,1H3,(H2,14,15)
InChIKeyPQBFXOCYQBWDJE-UHFFFAOYSA-N
MW342.22 g/mol
LogP2.54
Rot. Bonds3

About 2-amino-N-(2-bromo-5-methylphenyl)pyridine-4-sulfonamide

2-amino-N-(2-bromo-5-methylphenyl)pyridine-4-sulfonamide (PubChem CID 82758264) has the molecular formula C12H12BrN3O2S and a molecular weight of 342.22 g/mol. Its IUPAC name is 2-amino-N-(2-bromo-5-methylphenyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-bromo-5-methylphenyl)pyridine-4-sulfonamide
PubChem CID82758264
Molecular FormulaC12H12BrN3O2S
Molecular Weight342.22 g/mol
Exact Mass340.98
IUPAC Name2-amino-N-(2-bromo-5-methylphenyl)pyridine-4-sulfonamide
SMILESCc1ccc(Br)c(NS(=O)(=O)c2ccnc(N)c2)c1
InChIInChI=1S/C12H12BrN3O2S/c1-8-2-3-10(13)11(6-8)16-19(17,18)9-4-5-15-12(14)7-9/h2-7,16H,1H3,(H2,14,15)
InChIKeyPQBFXOCYQBWDJE-UHFFFAOYSA-N
XLogP2.54
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-bromo-N-(2-bromo-5-methylphenyl)benzenesulfonamide
CID 82761297
2-amino-N-(2,6-dibromophenyl)pyridine-4-sulfonamide
CID 107603165
6-amino-N-(2-bromo-5-methylphenyl)-5-chloropyridine-3-sulfonamide
CID 82767078
N-(2-bromo-4-methylphenyl)-2-(ethylamino)pyridine-4-sulfonamide
CID 62164386
N-(2,5-dimethylphenyl)-2-hydrazinylpyridine-4-sulfonamide
CID 61004704
2-amino-N-(2-bromo-5-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 82745864
N-(2-bromo-5-methylphenyl)-4-(ethylamino)benzenesulfonamide
CID 82750328
N-(2-bromo-5-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 82757156
N-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 82757244
3-amino-4-bromo-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 115328714
N-(2-amino-5-methylphenyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106605096
N-(2-bromo-5-methylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103300344

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromo-5-methylphenyl)pyridine-4-sulfonamide?
The IUPAC name of 2-amino-N-(2-bromo-5-methylphenyl)pyridine-4-sulfonamide (CID 82758264) is 2-amino-N-(2-bromo-5-methylphenyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-amino-N-(2-bromo-5-methylphenyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-amino-N-(2-bromo-5-methylphenyl)pyridine-4-sulfonamide is Cc1ccc(Br)c(NS(=O)(=O)c2ccnc(N)c2)c1.
What is the InChIKey of 2-amino-N-(2-bromo-5-methylphenyl)pyridine-4-sulfonamide?
The InChIKey is PQBFXOCYQBWDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2S/c1-8-2-3-10(13)11(6-8)16-19(17,18)9-4-5-15-12(14)7-9/h2-7,16H,1H3,(H2,14,15).
What are the key properties of 2-amino-N-(2-bromo-5-methylphenyl)pyridine-4-sulfonamide?
2-amino-N-(2-bromo-5-methylphenyl)pyridine-4-sulfonamide has a molecular weight of 342.22 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bromo-5-methylphenyl)pyridine-4-sulfonamide is sourced from PubChem (CID 82758264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).