2-amino-5-bromo-N-[1-(oxolan-2-yl)ethyl]pyridine-3-sulfonamide

C11H16BrN3O3S — CID 55043444

IUPAC2-amino-5-bromo-N-[1-(oxolan-2-yl)ethyl]pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1cc(Br)cnc1N)C1CCCO1
InChIInChI=1S/C11H16BrN3O3S/c1-7(9-3-2-4-18-9)15-19(16,17)10-5-8(12)6-14-11(10)13/h5-7,9,15H,2-4H2,1H3,(H2,13,14)
InChIKeyAACQUMJUZWSUJY-UHFFFAOYSA-N
MW350.24 g/mol
LogP1.27
Rot. Bonds4

About 2-amino-5-bromo-N-[1-(oxolan-2-yl)ethyl]pyridine-3-sulfonamide

2-amino-5-bromo-N-[1-(oxolan-2-yl)ethyl]pyridine-3-sulfonamide (PubChem CID 55043444) has the molecular formula C11H16BrN3O3S and a molecular weight of 350.24 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[1-(oxolan-2-yl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[1-(oxolan-2-yl)ethyl]pyridine-3-sulfonamide
PubChem CID55043444
Molecular FormulaC11H16BrN3O3S
Molecular Weight350.24 g/mol
Exact Mass349.01
IUPAC Name2-amino-5-bromo-N-[1-(oxolan-2-yl)ethyl]pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1cc(Br)cnc1N)C1CCCO1
InChIInChI=1S/C11H16BrN3O3S/c1-7(9-3-2-4-18-9)15-19(16,17)10-5-8(12)6-14-11(10)13/h5-7,9,15H,2-4H2,1H3,(H2,13,14)
InChIKeyAACQUMJUZWSUJY-UHFFFAOYSA-N
XLogP1.27
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[1-(oxolan-2-yl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-[1-(oxolan-2-yl)ethyl]pyridine-3-sulfonamide (CID 55043444) is 2-amino-5-bromo-N-[1-(oxolan-2-yl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-[1-(oxolan-2-yl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-[1-(oxolan-2-yl)ethyl]pyridine-3-sulfonamide is CC(NS(=O)(=O)c1cc(Br)cnc1N)C1CCCO1.
What is the InChIKey of 2-amino-5-bromo-N-[1-(oxolan-2-yl)ethyl]pyridine-3-sulfonamide?
The InChIKey is AACQUMJUZWSUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O3S/c1-7(9-3-2-4-18-9)15-19(16,17)10-5-8(12)6-14-11(10)13/h5-7,9,15H,2-4H2,1H3,(H2,13,14).
What are the key properties of 2-amino-5-bromo-N-[1-(oxolan-2-yl)ethyl]pyridine-3-sulfonamide?
2-amino-5-bromo-N-[1-(oxolan-2-yl)ethyl]pyridine-3-sulfonamide has a molecular weight of 350.24 g/mol, XLogP of 1.27, 4 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-[1-(oxolan-2-yl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 55043444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).