3-amino-N-(3-bromo-2-methylphenyl)pyridine-2-sulfonamide

C12H12BrN3O2S — CID 107630481

IUPAC3-amino-N-(3-bromo-2-methylphenyl)pyridine-2-sulfonamide
SMILESCc1c(Br)cccc1NS(=O)(=O)c1ncccc1N
InChIInChI=1S/C12H12BrN3O2S/c1-8-9(13)4-2-6-11(8)16-19(17,18)12-10(14)5-3-7-15-12/h2-7,16H,14H2,1H3
InChIKeyLLUNHPGLBOUQLV-UHFFFAOYSA-N
MW342.22 g/mol
LogP2.54
Rot. Bonds3

About 3-amino-N-(3-bromo-2-methylphenyl)pyridine-2-sulfonamide

3-amino-N-(3-bromo-2-methylphenyl)pyridine-2-sulfonamide (PubChem CID 107630481) has the molecular formula C12H12BrN3O2S and a molecular weight of 342.22 g/mol. Its IUPAC name is 3-amino-N-(3-bromo-2-methylphenyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-bromo-2-methylphenyl)pyridine-2-sulfonamide
PubChem CID107630481
Molecular FormulaC12H12BrN3O2S
Molecular Weight342.22 g/mol
Exact Mass340.98
IUPAC Name3-amino-N-(3-bromo-2-methylphenyl)pyridine-2-sulfonamide
SMILESCc1c(Br)cccc1NS(=O)(=O)c1ncccc1N
InChIInChI=1S/C12H12BrN3O2S/c1-8-9(13)4-2-6-11(8)16-19(17,18)12-10(14)5-3-7-15-12/h2-7,16H,14H2,1H3
InChIKeyLLUNHPGLBOUQLV-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

Analyze 3-amino-N-(3-bromo-2-methylphenyl)pyridine-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-(5-bromo-2-methylphenyl)pyridine-2-sulfonamide
CID 103304878
3-amino-N-(2,4-dibromo-5-methoxyphenyl)pyridine-2-sulfonamide
CID 103416653
3-amino-N-(5-bromo-2-chlorophenyl)pyridine-2-sulfonamide
CID 103305837
N-(3-bromo-2-methylphenyl)-2-cyanopyridine-3-sulfonamide
CID 106703731
3-amino-N-(3-methyl-2-pyridinyl)pyridine-2-sulfonamide
CID 103303464
3-amino-N-(2,6-difluorophenyl)pyridine-2-sulfonamide
CID 103304250
3-amino-N-[2-(trifluoromethyl)phenyl]pyridine-2-sulfonamide
CID 103303165
5-amino-N-(3-bromo-2-methylphenyl)-3-methylimidazole-4-sulfonamide
CID 107624377
3-amino-N-phenylpyridine-2-sulfonamide
CID 15358385
5-amino-N-(3-bromo-2-methylphenyl)-2-fluoro-4-methylbenzenesulfonamide
CID 107624447
3-amino-N-(3,4-dimethylphenyl)pyridine-2-sulfonamide
CID 103303574
N-(2-bromophenyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103303927

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-bromo-2-methylphenyl)pyridine-2-sulfonamide?
The IUPAC name of 3-amino-N-(3-bromo-2-methylphenyl)pyridine-2-sulfonamide (CID 107630481) is 3-amino-N-(3-bromo-2-methylphenyl)pyridine-2-sulfonamide.
What is the SMILES notation for 3-amino-N-(3-bromo-2-methylphenyl)pyridine-2-sulfonamide?
The canonical SMILES for 3-amino-N-(3-bromo-2-methylphenyl)pyridine-2-sulfonamide is Cc1c(Br)cccc1NS(=O)(=O)c1ncccc1N.
What is the InChIKey of 3-amino-N-(3-bromo-2-methylphenyl)pyridine-2-sulfonamide?
The InChIKey is LLUNHPGLBOUQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2S/c1-8-9(13)4-2-6-11(8)16-19(17,18)12-10(14)5-3-7-15-12/h2-7,16H,14H2,1H3.
What are the key properties of 3-amino-N-(3-bromo-2-methylphenyl)pyridine-2-sulfonamide?
3-amino-N-(3-bromo-2-methylphenyl)pyridine-2-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 3-amino-N-(3-bromo-2-methylphenyl)pyridine-2-sulfonamide is sourced from PubChem (CID 107630481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).