6-oxo-N-propyl-1H-pyridine-3-sulfonamide

C8H12N2O3S — CID 43629031

IUPAC6-oxo-N-propyl-1H-pyridine-3-sulfonamide
SMILESCCCNS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C8H12N2O3S/c1-2-5-10-14(12,13)7-3-4-8(11)9-6-7/h3-4,6,10H,2,5H2,1H3,(H,9,11)
InChIKeyJPUUVYNVYXQJIH-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.06
Rot. Bonds4

About 6-oxo-N-propyl-1H-pyridine-3-sulfonamide

6-oxo-N-propyl-1H-pyridine-3-sulfonamide (PubChem CID 43629031) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is 6-oxo-N-propyl-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-oxo-N-propyl-1H-pyridine-3-sulfonamide
PubChem CID43629031
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Name6-oxo-N-propyl-1H-pyridine-3-sulfonamide
SMILESCCCNS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C8H12N2O3S/c1-2-5-10-14(12,13)7-3-4-8(11)9-6-7/h3-4,6,10H,2,5H2,1H3,(H,9,11)
InChIKeyJPUUVYNVYXQJIH-UHFFFAOYSA-N
XLogP0.06
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-propyl-1H-pyridine-3-sulfonamide?
The IUPAC name of 6-oxo-N-propyl-1H-pyridine-3-sulfonamide (CID 43629031) is 6-oxo-N-propyl-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 6-oxo-N-propyl-1H-pyridine-3-sulfonamide?
The canonical SMILES for 6-oxo-N-propyl-1H-pyridine-3-sulfonamide is CCCNS(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-propyl-1H-pyridine-3-sulfonamide?
The InChIKey is JPUUVYNVYXQJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-2-5-10-14(12,13)7-3-4-8(11)9-6-7/h3-4,6,10H,2,5H2,1H3,(H,9,11).
What are the key properties of 6-oxo-N-propyl-1H-pyridine-3-sulfonamide?
6-oxo-N-propyl-1H-pyridine-3-sulfonamide has a molecular weight of 216.26 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-propyl-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 43629031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).