2-cyano-N-ethoxypyridine-3-sulfonamide

C8H9N3O3S — CID 106593512

IUPAC2-cyano-N-ethoxypyridine-3-sulfonamide
SMILESCCONS(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C8H9N3O3S/c1-2-14-11-15(12,13)8-4-3-5-10-7(8)6-9/h3-5,11H,2H2,1H3
InChIKeyKHILSLABTMQIIZ-UHFFFAOYSA-N
MW227.25 g/mol
LogP0.18
Rot. Bonds4

About 2-cyano-N-ethoxypyridine-3-sulfonamide

2-cyano-N-ethoxypyridine-3-sulfonamide (PubChem CID 106593512) has the molecular formula C8H9N3O3S and a molecular weight of 227.25 g/mol. Its IUPAC name is 2-cyano-N-ethoxypyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-ethoxypyridine-3-sulfonamide
PubChem CID106593512
Molecular FormulaC8H9N3O3S
Molecular Weight227.25 g/mol
Exact Mass227.04
IUPAC Name2-cyano-N-ethoxypyridine-3-sulfonamide
SMILESCCONS(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C8H9N3O3S/c1-2-14-11-15(12,13)8-4-3-5-10-7(8)6-9/h3-5,11H,2H2,1H3
InChIKeyKHILSLABTMQIIZ-UHFFFAOYSA-N
XLogP0.18
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-cyano-N-ethoxypyridine-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

2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 106546656
2-cyano-N-(6-ethoxy-3-pyridinyl)pyridine-3-sulfonamide
CID 106596186
2-cyano-N-(2-phenylpropyl)pyridine-3-sulfonamide
CID 106545234
2-cyano-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 106545154
2-cyano-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 106595467
2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 106546835
2-cyano-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
CID 106546061
2-cyano-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide
CID 106546033
2-cyano-N-(3-ethylsulfanylpropyl)pyridine-3-sulfonamide
CID 114248056
2-cyano-N-(4-methoxybutan-2-yl)pyridine-3-sulfonamide
CID 106545893
2-cyano-N-octan-4-ylpyridine-3-sulfonamide
CID 106546437
3-[(2-cyano-3-pyridinyl)sulfonylamino]-N-ethylpropanamide
CID 106596234

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-ethoxypyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-ethoxypyridine-3-sulfonamide (CID 106593512) is 2-cyano-N-ethoxypyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-ethoxypyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-ethoxypyridine-3-sulfonamide is CCONS(=O)(=O)c1cccnc1C#N.
What is the InChIKey of 2-cyano-N-ethoxypyridine-3-sulfonamide?
The InChIKey is KHILSLABTMQIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3S/c1-2-14-11-15(12,13)8-4-3-5-10-7(8)6-9/h3-5,11H,2H2,1H3.
What are the key properties of 2-cyano-N-ethoxypyridine-3-sulfonamide?
2-cyano-N-ethoxypyridine-3-sulfonamide has a molecular weight of 227.25 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-ethoxypyridine-3-sulfonamide is sourced from PubChem (CID 106593512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).