N-(6-bromo-2-methyl-3-pyridinyl)-2-methoxyethanesulfonamide

C9H13BrN2O3S — CID 103907799

IUPACN-(6-bromo-2-methyl-3-pyridinyl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1ccc(Br)nc1C
InChIInChI=1S/C9H13BrN2O3S/c1-7-8(3-4-9(10)11-7)12-16(13,14)6-5-15-2/h3-4,12H,5-6H2,1-2H3
InChIKeyCQBYWYQWABMJSN-UHFFFAOYSA-N
MW309.19 g/mol
LogP1.54
Rot. Bonds5

About N-(6-bromo-2-methyl-3-pyridinyl)-2-methoxyethanesulfonamide

N-(6-bromo-2-methyl-3-pyridinyl)-2-methoxyethanesulfonamide (PubChem CID 103907799) has the molecular formula C9H13BrN2O3S and a molecular weight of 309.19 g/mol. Its IUPAC name is N-(6-bromo-2-methyl-3-pyridinyl)-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-(6-bromo-2-methyl-3-pyridinyl)-2-methoxyethanesulfonamide
PubChem CID103907799
Molecular FormulaC9H13BrN2O3S
Molecular Weight309.19 g/mol
Exact Mass307.98
IUPAC NameN-(6-bromo-2-methyl-3-pyridinyl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1ccc(Br)nc1C
InChIInChI=1S/C9H13BrN2O3S/c1-7-8(3-4-9(10)11-7)12-16(13,14)6-5-15-2/h3-4,12H,5-6H2,1-2H3
InChIKeyCQBYWYQWABMJSN-UHFFFAOYSA-N
XLogP1.54
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-2-methoxyethanesulfonamide?
The IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-2-methoxyethanesulfonamide (CID 103907799) is N-(6-bromo-2-methyl-3-pyridinyl)-2-methoxyethanesulfonamide.
What is the SMILES notation for N-(6-bromo-2-methyl-3-pyridinyl)-2-methoxyethanesulfonamide?
The canonical SMILES for N-(6-bromo-2-methyl-3-pyridinyl)-2-methoxyethanesulfonamide is COCCS(=O)(=O)Nc1ccc(Br)nc1C.
What is the InChIKey of N-(6-bromo-2-methyl-3-pyridinyl)-2-methoxyethanesulfonamide?
The InChIKey is CQBYWYQWABMJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O3S/c1-7-8(3-4-9(10)11-7)12-16(13,14)6-5-15-2/h3-4,12H,5-6H2,1-2H3.
What are the key properties of N-(6-bromo-2-methyl-3-pyridinyl)-2-methoxyethanesulfonamide?
N-(6-bromo-2-methyl-3-pyridinyl)-2-methoxyethanesulfonamide has a molecular weight of 309.19 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-methyl-3-pyridinyl)-2-methoxyethanesulfonamide is sourced from PubChem (CID 103907799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).