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

C8H11ClN2O4S — CID 64606328

IUPAC5-chloro-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCOCCNS(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C8H11ClN2O4S/c1-15-3-2-11-16(13,14)6-4-7(9)8(12)10-5-6/h4-5,11H,2-3H2,1H3,(H,10,12)
InChIKeyILQDSYCIFKFVNF-UHFFFAOYSA-N
MW266.71 g/mol
LogP-0.05
Rot. Bonds5

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

5-chloro-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 64606328) has the molecular formula C8H11ClN2O4S and a molecular weight of 266.71 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID64606328
Molecular FormulaC8H11ClN2O4S
Molecular Weight266.71 g/mol
Exact Mass266.01
IUPAC Name5-chloro-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCOCCNS(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C8H11ClN2O4S/c1-15-3-2-11-16(13,14)6-4-7(9)8(12)10-5-6/h4-5,11H,2-3H2,1H3,(H,10,12)
InChIKeyILQDSYCIFKFVNF-UHFFFAOYSA-N
XLogP-0.05
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.71
LogP ≤ 5-0.05
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 5-chloro-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 64606328) is 5-chloro-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide is COCCNS(=O)(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is ILQDSYCIFKFVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O4S/c1-15-3-2-11-16(13,14)6-4-7(9)8(12)10-5-6/h4-5,11H,2-3H2,1H3,(H,10,12).
What are the key properties of 5-chloro-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide?
5-chloro-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 266.71 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 64606328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).