6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide

C11H14N4O3S — CID 104619447

IUPAC6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide
SMILESCCCc1cc(NS(=O)(=O)c2ccc(=O)[nH]c2)n[nH]1
InChIInChI=1S/C11H14N4O3S/c1-2-3-8-6-10(14-13-8)15-19(17,18)9-4-5-11(16)12-7-9/h4-7H,2-3H2,1H3,(H,12,16)(H2,13,14,15)
InChIKeyBOLDUYANXWQFAI-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.85
Rot. Bonds5

About 6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide

6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide (PubChem CID 104619447) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is 6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide
PubChem CID104619447
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC Name6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide
SMILESCCCc1cc(NS(=O)(=O)c2ccc(=O)[nH]c2)n[nH]1
InChIInChI=1S/C11H14N4O3S/c1-2-3-8-6-10(14-13-8)15-19(17,18)9-4-5-11(16)12-7-9/h4-7H,2-3H2,1H3,(H,12,16)(H2,13,14,15)
InChIKeyBOLDUYANXWQFAI-UHFFFAOYSA-N
XLogP0.85
TPSA107.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide?
The IUPAC name of 6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide (CID 104619447) is 6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide?
The canonical SMILES for 6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide is CCCc1cc(NS(=O)(=O)c2ccc(=O)[nH]c2)n[nH]1.
What is the InChIKey of 6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide?
The InChIKey is BOLDUYANXWQFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-2-3-8-6-10(14-13-8)15-19(17,18)9-4-5-11(16)12-7-9/h4-7H,2-3H2,1H3,(H,12,16)(H2,13,14,15).
What are the key properties of 6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide?
6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide has a molecular weight of 282.32 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 104619447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).