3-[(6-bromo-2-pyridinyl)amino]propane-1-sulfonamide

C8H12BrN3O2S — CID 63961528

IUPAC3-[(6-bromo-2-pyridinyl)amino]propane-1-sulfonamide
SMILESNS(=O)(=O)CCCNc1cccc(Br)n1
InChIInChI=1S/C8H12BrN3O2S/c9-7-3-1-4-8(12-7)11-5-2-6-15(10,13)14/h1,3-4H,2,5-6H2,(H,11,12)(H2,10,13,14)
InChIKeyYQRLXUXACASOFW-UHFFFAOYSA-N
MW294.17 g/mol
LogP0.93
Rot. Bonds5

About 3-[(6-bromo-2-pyridinyl)amino]propane-1-sulfonamide

3-[(6-bromo-2-pyridinyl)amino]propane-1-sulfonamide (PubChem CID 63961528) has the molecular formula C8H12BrN3O2S and a molecular weight of 294.17 g/mol. Its IUPAC name is 3-[(6-bromo-2-pyridinyl)amino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[(6-bromo-2-pyridinyl)amino]propane-1-sulfonamide
PubChem CID63961528
Molecular FormulaC8H12BrN3O2S
Molecular Weight294.17 g/mol
Exact Mass292.98
IUPAC Name3-[(6-bromo-2-pyridinyl)amino]propane-1-sulfonamide
SMILESNS(=O)(=O)CCCNc1cccc(Br)n1
InChIInChI=1S/C8H12BrN3O2S/c9-7-3-1-4-8(12-7)11-5-2-6-15(10,13)14/h1,3-4H,2,5-6H2,(H,11,12)(H2,10,13,14)
InChIKeyYQRLXUXACASOFW-UHFFFAOYSA-N
XLogP0.93
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(6-bromo-2-pyridinyl)amino]propane-1-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

6-[(6-bromo-2-pyridinyl)amino]hexan-1-ol
CID 107854113
2-[[6-(ethylamino)-2-pyridinyl]amino]ethanesulfonamide
CID 80787480
6-bromo-N-(3-methoxypropyl)pyridin-2-amine
CID 46739391
3-[(2-chloropyrimidin-4-yl)amino]propane-1-sulfonamide
CID 62342869
6-bromo-N-(4-methoxybutyl)pyridin-2-amine
CID 63963664
6-bromo-N-(5-methylhexyl)pyridin-2-amine
CID 115326764
2-[(6-bromo-2-pyridinyl)methylamino]ethanesulfonamide
CID 112581934
4-[[(6-bromo-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 106192569
6-bromo-N-(3-morpholin-4-ylpropyl)pyridin-2-amine
CID 63961941
6-methoxy-N-(3-methylsulfonylpropyl)pyridin-2-amine
CID 63591649
N-(6-bromo-2-pyridinyl)butane-1-sulfonamide
CID 43520639
3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propane-1-sulfonamide
CID 80903168

Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromo-2-pyridinyl)amino]propane-1-sulfonamide?
The IUPAC name of 3-[(6-bromo-2-pyridinyl)amino]propane-1-sulfonamide (CID 63961528) is 3-[(6-bromo-2-pyridinyl)amino]propane-1-sulfonamide.
What is the SMILES notation for 3-[(6-bromo-2-pyridinyl)amino]propane-1-sulfonamide?
The canonical SMILES for 3-[(6-bromo-2-pyridinyl)amino]propane-1-sulfonamide is NS(=O)(=O)CCCNc1cccc(Br)n1.
What is the InChIKey of 3-[(6-bromo-2-pyridinyl)amino]propane-1-sulfonamide?
The InChIKey is YQRLXUXACASOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O2S/c9-7-3-1-4-8(12-7)11-5-2-6-15(10,13)14/h1,3-4H,2,5-6H2,(H,11,12)(H2,10,13,14).
What are the key properties of 3-[(6-bromo-2-pyridinyl)amino]propane-1-sulfonamide?
3-[(6-bromo-2-pyridinyl)amino]propane-1-sulfonamide has a molecular weight of 294.17 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromo-2-pyridinyl)amino]propane-1-sulfonamide is sourced from PubChem (CID 63961528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).