5-cyano-N-ethylpyridine-3-sulfonamide

C8H9N3O2S — CID 130585950

IUPAC5-cyano-N-ethylpyridine-3-sulfonamide
SMILESCCNS(=O)(=O)c1cncc(C#N)c1
InChIInChI=1S/C8H9N3O2S/c1-2-11-14(12,13)8-3-7(4-9)5-10-6-8/h3,5-6,11H,2H2,1H3
InChIKeyOYKKGLAUMQHXLZ-UHFFFAOYSA-N
MW211.25 g/mol
LogP0.25
Rot. Bonds3

About 5-cyano-N-ethylpyridine-3-sulfonamide

5-cyano-N-ethylpyridine-3-sulfonamide (PubChem CID 130585950) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is 5-cyano-N-ethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-ethylpyridine-3-sulfonamide
PubChem CID130585950
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC Name5-cyano-N-ethylpyridine-3-sulfonamide
SMILESCCNS(=O)(=O)c1cncc(C#N)c1
InChIInChI=1S/C8H9N3O2S/c1-2-11-14(12,13)8-3-7(4-9)5-10-6-8/h3,5-6,11H,2H2,1H3
InChIKeyOYKKGLAUMQHXLZ-UHFFFAOYSA-N
XLogP0.25
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-ethylpyridine-3-sulfonamide?
The IUPAC name of 5-cyano-N-ethylpyridine-3-sulfonamide (CID 130585950) is 5-cyano-N-ethylpyridine-3-sulfonamide.
What is the SMILES notation for 5-cyano-N-ethylpyridine-3-sulfonamide?
The canonical SMILES for 5-cyano-N-ethylpyridine-3-sulfonamide is CCNS(=O)(=O)c1cncc(C#N)c1.
What is the InChIKey of 5-cyano-N-ethylpyridine-3-sulfonamide?
The InChIKey is OYKKGLAUMQHXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c1-2-11-14(12,13)8-3-7(4-9)5-10-6-8/h3,5-6,11H,2H2,1H3.
What are the key properties of 5-cyano-N-ethylpyridine-3-sulfonamide?
5-cyano-N-ethylpyridine-3-sulfonamide has a molecular weight of 211.25 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-ethylpyridine-3-sulfonamide is sourced from PubChem (CID 130585950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).