2-amino-5-bromo-N-butylpyridine-3-sulfonamide

C9H14BrN3O2S — CID 22515931

IUPAC2-amino-5-bromo-N-butylpyridine-3-sulfonamide
SMILESCCCCNS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C9H14BrN3O2S/c1-2-3-4-13-16(14,15)8-5-7(10)6-12-9(8)11/h5-6,13H,2-4H2,1H3,(H2,11,12)
InChIKeyHTHYNWSPEUVBJI-UHFFFAOYSA-N
MW308.20 g/mol
LogP1.50
Rot. Bonds5

About 2-amino-5-bromo-N-butylpyridine-3-sulfonamide

2-amino-5-bromo-N-butylpyridine-3-sulfonamide (PubChem CID 22515931) has the molecular formula C9H14BrN3O2S and a molecular weight of 308.20 g/mol. Its IUPAC name is 2-amino-5-bromo-N-butylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-butylpyridine-3-sulfonamide
PubChem CID22515931
Molecular FormulaC9H14BrN3O2S
Molecular Weight308.20 g/mol
Exact Mass307.00
IUPAC Name2-amino-5-bromo-N-butylpyridine-3-sulfonamide
SMILESCCCCNS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C9H14BrN3O2S/c1-2-3-4-13-16(14,15)8-5-7(10)6-12-9(8)11/h5-6,13H,2-4H2,1H3,(H2,11,12)
InChIKeyHTHYNWSPEUVBJI-UHFFFAOYSA-N
XLogP1.50
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 51.50
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-butylpyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-butylpyridine-3-sulfonamide (CID 22515931) is 2-amino-5-bromo-N-butylpyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-butylpyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-butylpyridine-3-sulfonamide is CCCCNS(=O)(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-amino-5-bromo-N-butylpyridine-3-sulfonamide?
The InChIKey is HTHYNWSPEUVBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O2S/c1-2-3-4-13-16(14,15)8-5-7(10)6-12-9(8)11/h5-6,13H,2-4H2,1H3,(H2,11,12).
What are the key properties of 2-amino-5-bromo-N-butylpyridine-3-sulfonamide?
2-amino-5-bromo-N-butylpyridine-3-sulfonamide has a molecular weight of 308.20 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-butylpyridine-3-sulfonamide is sourced from PubChem (CID 22515931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).