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

C10H13ClN2O4S — CID 64606172

IUPAC5-chloro-N-(3-ethenoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESC=COCCCNS(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C10H13ClN2O4S/c1-2-17-5-3-4-13-18(15,16)8-6-9(11)10(14)12-7-8/h2,6-7,13H,1,3-5H2,(H,12,14)
InChIKeyMYZFHLKYMAERME-UHFFFAOYSA-N
MW292.74 g/mol
LogP0.86
Rot. Bonds7

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

5-chloro-N-(3-ethenoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 64606172) has the molecular formula C10H13ClN2O4S and a molecular weight of 292.74 g/mol. Its IUPAC name is 5-chloro-N-(3-ethenoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3-ethenoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID64606172
Molecular FormulaC10H13ClN2O4S
Molecular Weight292.74 g/mol
Exact Mass292.03
IUPAC Name5-chloro-N-(3-ethenoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESC=COCCCNS(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C10H13ClN2O4S/c1-2-17-5-3-4-13-18(15,16)8-6-9(11)10(14)12-7-8/h2,6-7,13H,1,3-5H2,(H,12,14)
InChIKeyMYZFHLKYMAERME-UHFFFAOYSA-N
XLogP0.86
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-ethenoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(3-ethenoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 64606172) is 5-chloro-N-(3-ethenoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(3-ethenoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(3-ethenoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide is C=COCCCNS(=O)(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-N-(3-ethenoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is MYZFHLKYMAERME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O4S/c1-2-17-5-3-4-13-18(15,16)8-6-9(11)10(14)12-7-8/h2,6-7,13H,1,3-5H2,(H,12,14).
What are the key properties of 5-chloro-N-(3-ethenoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide?
5-chloro-N-(3-ethenoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 292.74 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-ethenoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 64606172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).