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

C10H16N2O3S — CID 43629076

IUPAC6-oxo-N-pentyl-1H-pyridine-3-sulfonamide
SMILESCCCCCNS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H16N2O3S/c1-2-3-4-7-12-16(14,15)9-5-6-10(13)11-8-9/h5-6,8,12H,2-4,7H2,1H3,(H,11,13)
InChIKeyKWEXZWZXEVKIHR-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.84
Rot. Bonds6

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

6-oxo-N-pentyl-1H-pyridine-3-sulfonamide (PubChem CID 43629076) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 6-oxo-N-pentyl-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-oxo-N-pentyl-1H-pyridine-3-sulfonamide
PubChem CID43629076
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name6-oxo-N-pentyl-1H-pyridine-3-sulfonamide
SMILESCCCCCNS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H16N2O3S/c1-2-3-4-7-12-16(14,15)9-5-6-10(13)11-8-9/h5-6,8,12H,2-4,7H2,1H3,(H,11,13)
InChIKeyKWEXZWZXEVKIHR-UHFFFAOYSA-N
XLogP0.84
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 6-oxo-N-pentyl-1H-pyridine-3-sulfonamide?
The IUPAC name of 6-oxo-N-pentyl-1H-pyridine-3-sulfonamide (CID 43629076) is 6-oxo-N-pentyl-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 6-oxo-N-pentyl-1H-pyridine-3-sulfonamide?
The canonical SMILES for 6-oxo-N-pentyl-1H-pyridine-3-sulfonamide is CCCCCNS(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-pentyl-1H-pyridine-3-sulfonamide?
The InChIKey is KWEXZWZXEVKIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-2-3-4-7-12-16(14,15)9-5-6-10(13)11-8-9/h5-6,8,12H,2-4,7H2,1H3,(H,11,13).
What are the key properties of 6-oxo-N-pentyl-1H-pyridine-3-sulfonamide?
6-oxo-N-pentyl-1H-pyridine-3-sulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-pentyl-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 43629076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).