6-cyano-N-propylpyridine-3-sulfonamide

C9H11N3O2S — CID 115602408

IUPAC6-cyano-N-propylpyridine-3-sulfonamide
SMILESCCCNS(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C9H11N3O2S/c1-2-5-12-15(13,14)9-4-3-8(6-10)11-7-9/h3-4,7,12H,2,5H2,1H3
InChIKeyWWBSMKLPZYHVLS-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.64
Rot. Bonds4

About 6-cyano-N-propylpyridine-3-sulfonamide

6-cyano-N-propylpyridine-3-sulfonamide (PubChem CID 115602408) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 6-cyano-N-propylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-propylpyridine-3-sulfonamide
PubChem CID115602408
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name6-cyano-N-propylpyridine-3-sulfonamide
SMILESCCCNS(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C9H11N3O2S/c1-2-5-12-15(13,14)9-4-3-8(6-10)11-7-9/h3-4,7,12H,2,5H2,1H3
InChIKeyWWBSMKLPZYHVLS-UHFFFAOYSA-N
XLogP0.64
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyano-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide
CID 114614843
6-cyano-N-pentylpyridine-3-sulfonamide
CID 115602354
6-cyano-N-hexylpyridine-3-sulfonamide
CID 113229666
6-cyano-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide
CID 115602709
6-cyano-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
CID 115754118
6-cyano-N-(2-pyrazol-1-ylethyl)pyridine-3-sulfonamide
CID 114613817
6-cyano-N-(3-pyrazol-1-ylpropyl)pyridine-3-sulfonamide
CID 115602579
2-[2-[(6-cyano-3-pyridinyl)sulfonylamino]ethoxy]acetamide
CID 103837965
6-cyano-N-(2,2-dimethylheptyl)pyridine-3-sulfonamide
CID 115690391
6-cyano-N-[3-(cyclopropylamino)propyl]pyridine-3-sulfonamide
CID 114614830
7-[(6-cyano-3-pyridinyl)sulfonylamino]heptanoic acid
CID 115776570
6-cyano-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide
CID 115602773

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-propylpyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-propylpyridine-3-sulfonamide (CID 115602408) is 6-cyano-N-propylpyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-propylpyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-propylpyridine-3-sulfonamide is CCCNS(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of 6-cyano-N-propylpyridine-3-sulfonamide?
The InChIKey is WWBSMKLPZYHVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c1-2-5-12-15(13,14)9-4-3-8(6-10)11-7-9/h3-4,7,12H,2,5H2,1H3.
What are the key properties of 6-cyano-N-propylpyridine-3-sulfonamide?
6-cyano-N-propylpyridine-3-sulfonamide has a molecular weight of 225.27 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-propylpyridine-3-sulfonamide is sourced from PubChem (CID 115602408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).