3-[(5-bromo-3-pyridinyl)amino]propane-1-sulfonamide

C8H12BrN3O2S — CID 104531690

IUPAC3-[(5-bromo-3-pyridinyl)amino]propane-1-sulfonamide
SMILESNS(=O)(=O)CCCNc1cncc(Br)c1
InChIInChI=1S/C8H12BrN3O2S/c9-7-4-8(6-11-5-7)12-2-1-3-15(10,13)14/h4-6,12H,1-3H2,(H2,10,13,14)
InChIKeyGGLBNNHHZKPJHU-UHFFFAOYSA-N
MW294.17 g/mol
LogP0.93
Rot. Bonds5

About 3-[(5-bromo-3-pyridinyl)amino]propane-1-sulfonamide

3-[(5-bromo-3-pyridinyl)amino]propane-1-sulfonamide (PubChem CID 104531690) has the molecular formula C8H12BrN3O2S and a molecular weight of 294.17 g/mol. Its IUPAC name is 3-[(5-bromo-3-pyridinyl)amino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[(5-bromo-3-pyridinyl)amino]propane-1-sulfonamide
PubChem CID104531690
Molecular FormulaC8H12BrN3O2S
Molecular Weight294.17 g/mol
Exact Mass292.98
IUPAC Name3-[(5-bromo-3-pyridinyl)amino]propane-1-sulfonamide
SMILESNS(=O)(=O)CCCNc1cncc(Br)c1
InChIInChI=1S/C8H12BrN3O2S/c9-7-4-8(6-11-5-7)12-2-1-3-15(10,13)14/h4-6,12H,1-3H2,(H2,10,13,14)
InChIKeyGGLBNNHHZKPJHU-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(5-amino-3-pyridinyl)amino]propane-1-sulfonamide
CID 104533999
5-[(5-bromo-3-pyridinyl)amino]pentan-1-ol
CID 107302585
2-[(5-amino-3-pyridinyl)amino]ethanesulfonamide
CID 104532985
5-bromo-N-hexylpyridin-3-amine
CID 115656852
5-bromo-N-pent-4-ynylpyridin-3-amine
CID 103704408
2-[[5-(propylamino)-3-pyridinyl]amino]ethanesulfonamide
CID 104532984
2-[(5-bromo-3-pyridinyl)amino]ethanol
CID 91636071
3-(3-bromo-5-cyanoanilino)propane-1-sulfonamide
CID 102816035
3-N-methyl-5-N-(3-methylsulfonylpropyl)pyridine-3,5-diamine
CID 104533920
2-amino-5-bromo-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide
CID 62158912
5-bromo-N-[3-(2-methylpropoxy)propyl]pyridin-3-amine
CID 100678145
5-bromo-N-(2,2-dimethyl-4-methylsulfonylbutyl)pyridin-3-amine
CID 75422660

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-pyridinyl)amino]propane-1-sulfonamide?
The IUPAC name of 3-[(5-bromo-3-pyridinyl)amino]propane-1-sulfonamide (CID 104531690) is 3-[(5-bromo-3-pyridinyl)amino]propane-1-sulfonamide.
What is the SMILES notation for 3-[(5-bromo-3-pyridinyl)amino]propane-1-sulfonamide?
The canonical SMILES for 3-[(5-bromo-3-pyridinyl)amino]propane-1-sulfonamide is NS(=O)(=O)CCCNc1cncc(Br)c1.
What is the InChIKey of 3-[(5-bromo-3-pyridinyl)amino]propane-1-sulfonamide?
The InChIKey is GGLBNNHHZKPJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O2S/c9-7-4-8(6-11-5-7)12-2-1-3-15(10,13)14/h4-6,12H,1-3H2,(H2,10,13,14).
What are the key properties of 3-[(5-bromo-3-pyridinyl)amino]propane-1-sulfonamide?
3-[(5-bromo-3-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-[(5-bromo-3-pyridinyl)amino]propane-1-sulfonamide is sourced from PubChem (CID 104531690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).