6-oxo-N-prop-2-enyl-1H-pyridine-3-sulfonamide

C8H10N2O3S — CID 43629017

IUPAC6-oxo-N-prop-2-enyl-1H-pyridine-3-sulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C8H10N2O3S/c1-2-5-10-14(12,13)7-3-4-8(11)9-6-7/h2-4,6,10H,1,5H2,(H,9,11)
InChIKeyLMXLLBVDUWLSNM-UHFFFAOYSA-N
MW214.25 g/mol
LogP-0.16
Rot. Bonds4

About 6-oxo-N-prop-2-enyl-1H-pyridine-3-sulfonamide

6-oxo-N-prop-2-enyl-1H-pyridine-3-sulfonamide (PubChem CID 43629017) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 6-oxo-N-prop-2-enyl-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-oxo-N-prop-2-enyl-1H-pyridine-3-sulfonamide
PubChem CID43629017
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name6-oxo-N-prop-2-enyl-1H-pyridine-3-sulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C8H10N2O3S/c1-2-5-10-14(12,13)7-3-4-8(11)9-6-7/h2-4,6,10H,1,5H2,(H,9,11)
InChIKeyLMXLLBVDUWLSNM-UHFFFAOYSA-N
XLogP-0.16
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-oxo-N-prop-2-enyl-1H-pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(Pyrrolidine-1-sulfonyl)-1,2-dihydropyridin-2-one
CID 3837315
N,N-diethyl-6-oxo-1,6-dihydropyridine-3-sulfonamide
CID 829843
N,N-dimethyl-6-oxo-1,6-dihydropyridine-3-sulfonamide
CID 2512776
5-[(4-Methyl-1-piperazinyl)sulfonyl]-2-pyridinol
CID 829832
2-Hydroxypyridine-3-sulfonyl chloride
CID 54238263
5-Methanesulfonyl-1,2-dihydropyridin-2-one
CID 57587966
2-Hydroxypyridine-4-sulfonamide
CID 119083783
5-Chloro-6-oxo-1,6-dihydropyridine-3-sulfonamide
CID 64607667
2-Hydroxypyridine-4-sulfonyl chloride
CID 105447694
2-Hydroxypyridine-3-sulfonyl fluoride
CID 137949065
6-Hydroxypyridine-3-sulfonyl fluoride
CID 138040660
2-Hydroxypyridine-4-sulfonyl fluoride
CID 138987548

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-prop-2-enyl-1H-pyridine-3-sulfonamide?
The IUPAC name of 6-oxo-N-prop-2-enyl-1H-pyridine-3-sulfonamide (CID 43629017) is 6-oxo-N-prop-2-enyl-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 6-oxo-N-prop-2-enyl-1H-pyridine-3-sulfonamide?
The canonical SMILES for 6-oxo-N-prop-2-enyl-1H-pyridine-3-sulfonamide is C=CCNS(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-prop-2-enyl-1H-pyridine-3-sulfonamide?
The InChIKey is LMXLLBVDUWLSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-2-5-10-14(12,13)7-3-4-8(11)9-6-7/h2-4,6,10H,1,5H2,(H,9,11).
What are the key properties of 6-oxo-N-prop-2-enyl-1H-pyridine-3-sulfonamide?
6-oxo-N-prop-2-enyl-1H-pyridine-3-sulfonamide has a molecular weight of 214.25 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-prop-2-enyl-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 43629017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).