N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide

C8H12N2O4S — CID 43629038

IUPACN-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C8H12N2O4S/c1-14-5-4-10-15(12,13)7-2-3-8(11)9-6-7/h2-3,6,10H,4-5H2,1H3,(H,9,11)
InChIKeyWYDPFFMZMBHNFY-UHFFFAOYSA-N
MW232.26 g/mol
LogP-0.70
Rot. Bonds5

About N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide

N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 43629038) has the molecular formula C8H12N2O4S and a molecular weight of 232.26 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID43629038
Molecular FormulaC8H12N2O4S
Molecular Weight232.26 g/mol
Exact Mass232.05
IUPAC NameN-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C8H12N2O4S/c1-14-5-4-10-15(12,13)7-2-3-8(11)9-6-7/h2-3,6,10H,4-5H2,1H3,(H,9,11)
InChIKeyWYDPFFMZMBHNFY-UHFFFAOYSA-N
XLogP-0.70
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 5-0.70
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 N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 43629038) is N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide is COCCNS(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is WYDPFFMZMBHNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4S/c1-14-5-4-10-15(12,13)7-2-3-8(11)9-6-7/h2-3,6,10H,4-5H2,1H3,(H,9,11).
What are the key properties of N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide?
N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 232.26 g/mol, XLogP of -0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 43629038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).