6-cyano-N-hexylpyridine-3-sulfonamide

C12H17N3O2S — CID 113229666

IUPAC6-cyano-N-hexylpyridine-3-sulfonamide
SMILESCCCCCCNS(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C12H17N3O2S/c1-2-3-4-5-8-15-18(16,17)12-7-6-11(9-13)14-10-12/h6-7,10,15H,2-5,8H2,1H3
InChIKeyQLHGKIKHFHDOLI-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.81
Rot. Bonds7

About 6-cyano-N-hexylpyridine-3-sulfonamide

6-cyano-N-hexylpyridine-3-sulfonamide (PubChem CID 113229666) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 6-cyano-N-hexylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-hexylpyridine-3-sulfonamide
PubChem CID113229666
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name6-cyano-N-hexylpyridine-3-sulfonamide
SMILESCCCCCCNS(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C12H17N3O2S/c1-2-3-4-5-8-15-18(16,17)12-7-6-11(9-13)14-10-12/h6-7,10,15H,2-5,8H2,1H3
InChIKeyQLHGKIKHFHDOLI-UHFFFAOYSA-N
XLogP1.81
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-cyano-N-pentylpyridine-3-sulfonamide
CID 115602354
6-cyano-N-propylpyridine-3-sulfonamide
CID 115602408
6-cyano-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide
CID 115602709
6-cyano-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide
CID 114614843
7-[(6-cyano-3-pyridinyl)sulfonylamino]heptanoic acid
CID 115776570
methyl 6-[(6-cyano-3-pyridinyl)sulfonylamino]hexanoate
CID 115602651
6-cyano-N-(2,2-dimethylheptyl)pyridine-3-sulfonamide
CID 115690391
6-cyano-N-(3-pyrazol-1-ylpropyl)pyridine-3-sulfonamide
CID 115602579
6-cyano-N-[3-(cyclopropylamino)propyl]pyridine-3-sulfonamide
CID 114614830
4-(cyanomethyl)-N-hexylbenzenesulfonamide
CID 79195889
4-cyano-3-methyl-N-octylbenzenesulfonamide
CID 106919852
6-cyano-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
CID 115754118

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-hexylpyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-hexylpyridine-3-sulfonamide (CID 113229666) is 6-cyano-N-hexylpyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-hexylpyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-hexylpyridine-3-sulfonamide is CCCCCCNS(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of 6-cyano-N-hexylpyridine-3-sulfonamide?
The InChIKey is QLHGKIKHFHDOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-2-3-4-5-8-15-18(16,17)12-7-6-11(9-13)14-10-12/h6-7,10,15H,2-5,8H2,1H3.
What are the key properties of 6-cyano-N-hexylpyridine-3-sulfonamide?
6-cyano-N-hexylpyridine-3-sulfonamide has a molecular weight of 267.35 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-hexylpyridine-3-sulfonamide is sourced from PubChem (CID 113229666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).