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

C11H17ClN2O4S — CID 64606194

IUPAC5-chloro-N-(2-ethoxyethyl)-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCOCCN(CC)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C11H17ClN2O4S/c1-3-14(5-6-18-4-2)19(16,17)9-7-10(12)11(15)13-8-9/h7-8H,3-6H2,1-2H3,(H,13,15)
InChIKeyKNKWVOLPFHIMPA-UHFFFAOYSA-N
MW308.79 g/mol
LogP1.08
Rot. Bonds7

About 5-chloro-N-(2-ethoxyethyl)-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide

5-chloro-N-(2-ethoxyethyl)-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 64606194) has the molecular formula C11H17ClN2O4S and a molecular weight of 308.79 g/mol. Its IUPAC name is 5-chloro-N-(2-ethoxyethyl)-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-ethoxyethyl)-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID64606194
Molecular FormulaC11H17ClN2O4S
Molecular Weight308.79 g/mol
Exact Mass308.06
IUPAC Name5-chloro-N-(2-ethoxyethyl)-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCOCCN(CC)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C11H17ClN2O4S/c1-3-14(5-6-18-4-2)19(16,17)9-7-10(12)11(15)13-8-9/h7-8H,3-6H2,1-2H3,(H,13,15)
InChIKeyKNKWVOLPFHIMPA-UHFFFAOYSA-N
XLogP1.08
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 51.08
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 5-chloro-N-(2-ethoxyethyl)-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(2-ethoxyethyl)-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide (CID 64606194) is 5-chloro-N-(2-ethoxyethyl)-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2-ethoxyethyl)-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(2-ethoxyethyl)-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide is CCOCCN(CC)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-N-(2-ethoxyethyl)-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is KNKWVOLPFHIMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O4S/c1-3-14(5-6-18-4-2)19(16,17)9-7-10(12)11(15)13-8-9/h7-8H,3-6H2,1-2H3,(H,13,15).
What are the key properties of 5-chloro-N-(2-ethoxyethyl)-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide?
5-chloro-N-(2-ethoxyethyl)-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 308.79 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-ethoxyethyl)-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 64606194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).