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

C11H18N2O4S — CID 63690253

IUPACN-(2-ethoxyethyl)-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCOCCN(CC)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H18N2O4S/c1-3-13(7-8-17-4-2)18(15,16)10-5-6-11(14)12-9-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,12,14)
InChIKeyVZWIMXZPVWVLNO-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.42
Rot. Bonds7

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

N-(2-ethoxyethyl)-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 63690253) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID63690253
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC NameN-(2-ethoxyethyl)-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCOCCN(CC)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H18N2O4S/c1-3-13(7-8-17-4-2)18(15,16)10-5-6-11(14)12-9-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,12,14)
InChIKeyVZWIMXZPVWVLNO-UHFFFAOYSA-N
XLogP0.42
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.42
H-Bond Donors ≤ 51
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-ethoxyethyl)-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-(2-ethoxyethyl)-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide (CID 63690253) is N-(2-ethoxyethyl)-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-ethoxyethyl)-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-(2-ethoxyethyl)-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide is CCOCCN(CC)S(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(2-ethoxyethyl)-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is VZWIMXZPVWVLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-3-13(7-8-17-4-2)18(15,16)10-5-6-11(14)12-9-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,12,14).
What are the key properties of N-(2-ethoxyethyl)-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide?
N-(2-ethoxyethyl)-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 274.34 g/mol, XLogP of 0.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 63690253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).