2-amino-5-bromo-N-(5-methylsulfanylpentyl)pyridine-3-sulfonamide

C11H18BrN3O2S2 — CID 104922252

IUPAC2-amino-5-bromo-N-(5-methylsulfanylpentyl)pyridine-3-sulfonamide
SMILESCSCCCCCNS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C11H18BrN3O2S2/c1-18-6-4-2-3-5-15-19(16,17)10-7-9(12)8-14-11(10)13/h7-8,15H,2-6H2,1H3,(H2,13,14)
InChIKeyQLANEEQPAKSXLY-UHFFFAOYSA-N
MW368.32 g/mol
LogP2.24
Rot. Bonds8

About 2-amino-5-bromo-N-(5-methylsulfanylpentyl)pyridine-3-sulfonamide

2-amino-5-bromo-N-(5-methylsulfanylpentyl)pyridine-3-sulfonamide (PubChem CID 104922252) has the molecular formula C11H18BrN3O2S2 and a molecular weight of 368.32 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(5-methylsulfanylpentyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(5-methylsulfanylpentyl)pyridine-3-sulfonamide
PubChem CID104922252
Molecular FormulaC11H18BrN3O2S2
Molecular Weight368.32 g/mol
Exact Mass367.00
IUPAC Name2-amino-5-bromo-N-(5-methylsulfanylpentyl)pyridine-3-sulfonamide
SMILESCSCCCCCNS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C11H18BrN3O2S2/c1-18-6-4-2-3-5-15-19(16,17)10-7-9(12)8-14-11(10)13/h7-8,15H,2-6H2,1H3,(H2,13,14)
InChIKeyQLANEEQPAKSXLY-UHFFFAOYSA-N
XLogP2.24
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(5-methylsulfanylpentyl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(5-methylsulfanylpentyl)pyridine-3-sulfonamide (CID 104922252) is 2-amino-5-bromo-N-(5-methylsulfanylpentyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(5-methylsulfanylpentyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(5-methylsulfanylpentyl)pyridine-3-sulfonamide is CSCCCCCNS(=O)(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-amino-5-bromo-N-(5-methylsulfanylpentyl)pyridine-3-sulfonamide?
The InChIKey is QLANEEQPAKSXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O2S2/c1-18-6-4-2-3-5-15-19(16,17)10-7-9(12)8-14-11(10)13/h7-8,15H,2-6H2,1H3,(H2,13,14).
What are the key properties of 2-amino-5-bromo-N-(5-methylsulfanylpentyl)pyridine-3-sulfonamide?
2-amino-5-bromo-N-(5-methylsulfanylpentyl)pyridine-3-sulfonamide has a molecular weight of 368.32 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(5-methylsulfanylpentyl)pyridine-3-sulfonamide is sourced from PubChem (CID 104922252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).