6-cyano-N-pentylpyridine-3-sulfonamide

C11H15N3O2S — CID 115602354

IUPAC6-cyano-N-pentylpyridine-3-sulfonamide
SMILESCCCCCNS(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C11H15N3O2S/c1-2-3-4-7-14-17(15,16)11-6-5-10(8-12)13-9-11/h5-6,9,14H,2-4,7H2,1H3
InChIKeyFWANVUDWIFPCJS-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.42
Rot. Bonds6

About 6-cyano-N-pentylpyridine-3-sulfonamide

6-cyano-N-pentylpyridine-3-sulfonamide (PubChem CID 115602354) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 6-cyano-N-pentylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-pentylpyridine-3-sulfonamide
PubChem CID115602354
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name6-cyano-N-pentylpyridine-3-sulfonamide
SMILESCCCCCNS(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C11H15N3O2S/c1-2-3-4-7-14-17(15,16)11-6-5-10(8-12)13-9-11/h5-6,9,14H,2-4,7H2,1H3
InChIKeyFWANVUDWIFPCJS-UHFFFAOYSA-N
XLogP1.42
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.42
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-hexylpyridine-3-sulfonamide
CID 113229666
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
6-cyano-N-(2,2-dimethylheptyl)pyridine-3-sulfonamide
CID 115690391
7-[(6-cyano-3-pyridinyl)sulfonylamino]heptanoic acid
CID 115776570
methyl 6-[(6-cyano-3-pyridinyl)sulfonylamino]hexanoate
CID 115602651
6-cyano-N-(3-pyrazol-1-ylpropyl)pyridine-3-sulfonamide
CID 115602579
6-cyano-N-[3-(cyclopropylamino)propyl]pyridine-3-sulfonamide
CID 114614830
6-cyano-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
CID 115754118
6-cyano-N-(2-pyrazol-1-ylethyl)pyridine-3-sulfonamide
CID 114613817
N-butyl-4-cyanobenzenesulfonamide
CID 3555489

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-pentylpyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-pentylpyridine-3-sulfonamide (CID 115602354) is 6-cyano-N-pentylpyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-pentylpyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-pentylpyridine-3-sulfonamide is CCCCCNS(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of 6-cyano-N-pentylpyridine-3-sulfonamide?
The InChIKey is FWANVUDWIFPCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-2-3-4-7-14-17(15,16)11-6-5-10(8-12)13-9-11/h5-6,9,14H,2-4,7H2,1H3.
What are the key properties of 6-cyano-N-pentylpyridine-3-sulfonamide?
6-cyano-N-pentylpyridine-3-sulfonamide has a molecular weight of 253.33 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-pentylpyridine-3-sulfonamide is sourced from PubChem (CID 115602354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).