2-cyano-N-octan-4-ylpyridine-3-sulfonamide

C14H21N3O2S — CID 106546437

IUPAC2-cyano-N-octan-4-ylpyridine-3-sulfonamide
SMILESCCCCC(CCC)NS(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C14H21N3O2S/c1-3-5-8-12(7-4-2)17-20(18,19)14-9-6-10-16-13(14)11-15/h6,9-10,12,17H,3-5,7-8H2,1-2H3
InChIKeyRGYBXJRVKNOTIH-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.59
Rot. Bonds8

About 2-cyano-N-octan-4-ylpyridine-3-sulfonamide

2-cyano-N-octan-4-ylpyridine-3-sulfonamide (PubChem CID 106546437) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-cyano-N-octan-4-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-octan-4-ylpyridine-3-sulfonamide
PubChem CID106546437
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name2-cyano-N-octan-4-ylpyridine-3-sulfonamide
SMILESCCCCC(CCC)NS(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C14H21N3O2S/c1-3-5-8-12(7-4-2)17-20(18,19)14-9-6-10-16-13(14)11-15/h6,9-10,12,17H,3-5,7-8H2,1-2H3
InChIKeyRGYBXJRVKNOTIH-UHFFFAOYSA-N
XLogP2.59
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2-cyano-3-pyridinyl)sulfonylamino]hexanoic acid
CID 107144955
2-(aminomethyl)-N-octan-4-ylpyridine-3-sulfonamide
CID 106024236
2-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-3-sulfonamide
CID 106546616
2-cyano-N-(4-methoxybutan-2-yl)pyridine-3-sulfonamide
CID 106545893
2-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyridine-3-sulfonamide
CID 106546179
2-cyano-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
CID 106546133
3-[(2-cyano-3-pyridinyl)sulfonylamino]butanoic acid
CID 106593255
2-cyano-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 106545154
2-bromo-N-octan-4-ylbenzenesulfonamide
CID 106025735
2-cyano-N-(4-methylsulfinylbutan-2-yl)pyridine-3-sulfonamide
CID 106596242
2-cyano-N-ethoxypyridine-3-sulfonamide
CID 106593512
N-tert-butyl-2-[(2-cyano-3-pyridinyl)sulfonylamino]propanamide
CID 106545736

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-octan-4-ylpyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-octan-4-ylpyridine-3-sulfonamide (CID 106546437) is 2-cyano-N-octan-4-ylpyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-octan-4-ylpyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-octan-4-ylpyridine-3-sulfonamide is CCCCC(CCC)NS(=O)(=O)c1cccnc1C#N.
What is the InChIKey of 2-cyano-N-octan-4-ylpyridine-3-sulfonamide?
The InChIKey is RGYBXJRVKNOTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-3-5-8-12(7-4-2)17-20(18,19)14-9-6-10-16-13(14)11-15/h6,9-10,12,17H,3-5,7-8H2,1-2H3.
What are the key properties of 2-cyano-N-octan-4-ylpyridine-3-sulfonamide?
2-cyano-N-octan-4-ylpyridine-3-sulfonamide has a molecular weight of 295.41 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-octan-4-ylpyridine-3-sulfonamide is sourced from PubChem (CID 106546437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).