6-cyano-N-(2,2-dimethylheptyl)pyridine-3-sulfonamide

C15H23N3O2S — CID 115690391

IUPAC6-cyano-N-(2,2-dimethylheptyl)pyridine-3-sulfonamide
SMILESCCCCCC(C)(C)CNS(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C15H23N3O2S/c1-4-5-6-9-15(2,3)12-18-21(19,20)14-8-7-13(10-16)17-11-14/h7-8,11,18H,4-6,9,12H2,1-3H3
InChIKeyQZCSZXBZKKLEIN-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.84
Rot. Bonds8

About 6-cyano-N-(2,2-dimethylheptyl)pyridine-3-sulfonamide

6-cyano-N-(2,2-dimethylheptyl)pyridine-3-sulfonamide (PubChem CID 115690391) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 6-cyano-N-(2,2-dimethylheptyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-(2,2-dimethylheptyl)pyridine-3-sulfonamide
PubChem CID115690391
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name6-cyano-N-(2,2-dimethylheptyl)pyridine-3-sulfonamide
SMILESCCCCCC(C)(C)CNS(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C15H23N3O2S/c1-4-5-6-9-15(2,3)12-18-21(19,20)14-8-7-13(10-16)17-11-14/h7-8,11,18H,4-6,9,12H2,1-3H3
InChIKeyQZCSZXBZKKLEIN-UHFFFAOYSA-N
XLogP2.84
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.84
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-hexylpyridine-3-sulfonamide
CID 113229666
6-cyano-N-propylpyridine-3-sulfonamide
CID 115602408
6-cyano-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
CID 115754118
3-[(6-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 114533438
6-cyano-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide
CID 114614843
6-cyano-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-sulfonamide
CID 113462897
6-cyano-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide
CID 115602709
2-[(6-cyano-3-pyridinyl)sulfonylamino]-2-methylbutanoic acid
CID 114612954
4-bromo-N-(2,2-dimethylheptyl)-3-fluorobenzenesulfonamide
CID 107650334
N-[3-(aminomethyl)pentan-3-yl]-6-cyanopyridine-3-sulfonamide
CID 115752426
6-cyano-N-[3-(trifluoromethyl)pentan-3-yl]pyridine-3-sulfonamide
CID 126813970

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(2,2-dimethylheptyl)pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-(2,2-dimethylheptyl)pyridine-3-sulfonamide (CID 115690391) is 6-cyano-N-(2,2-dimethylheptyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-(2,2-dimethylheptyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-(2,2-dimethylheptyl)pyridine-3-sulfonamide is CCCCCC(C)(C)CNS(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of 6-cyano-N-(2,2-dimethylheptyl)pyridine-3-sulfonamide?
The InChIKey is QZCSZXBZKKLEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-4-5-6-9-15(2,3)12-18-21(19,20)14-8-7-13(10-16)17-11-14/h7-8,11,18H,4-6,9,12H2,1-3H3.
What are the key properties of 6-cyano-N-(2,2-dimethylheptyl)pyridine-3-sulfonamide?
6-cyano-N-(2,2-dimethylheptyl)pyridine-3-sulfonamide has a molecular weight of 309.44 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-(2,2-dimethylheptyl)pyridine-3-sulfonamide is sourced from PubChem (CID 115690391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).