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

C14H13N3O2S — CID 106595467

IUPAC2-cyano-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C14H13N3O2S/c1-10-5-3-6-11(2)14(10)17-20(18,19)13-7-4-8-16-12(13)9-15/h3-8,17H,1-2H3
InChIKeyBQTOGUYRLZQQFT-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.37
Rot. Bonds3

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

2-cyano-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide (PubChem CID 106595467) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-cyano-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide
PubChem CID106595467
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name2-cyano-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C14H13N3O2S/c1-10-5-3-6-11(2)14(10)17-20(18,19)13-7-4-8-16-12(13)9-15/h3-8,17H,1-2H3
InChIKeyBQTOGUYRLZQQFT-UHFFFAOYSA-N
XLogP2.37
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2,6-dimethylphenyl)-2-cyanopyridine-3-sulfonamide
CID 106595530
2-cyano-N-(2,4,6-tribromophenyl)pyridine-3-sulfonamide
CID 106595571
N-(3-bromo-2-methylphenyl)-2-cyanopyridine-3-sulfonamide
CID 106703731
2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide
CID 106596248
2-cyano-N-pyridazin-3-ylpyridine-3-sulfonamide
CID 106596256
2-cyano-N-(2-cyanophenyl)pyridine-3-sulfonamide
CID 106595115
2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 106546835
N-(2-bromo-5-fluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106703755
2-cyano-N-ethoxypyridine-3-sulfonamide
CID 106593512
N-(6-amino-3-pyridinyl)-2-cyanopyridine-3-sulfonamide
CID 106598402
N-(5-chloro-2-fluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106595617
2-cyano-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide
CID 106595373

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide (CID 106595467) is 2-cyano-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide is Cc1cccc(C)c1NS(=O)(=O)c1cccnc1C#N.
What is the InChIKey of 2-cyano-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide?
The InChIKey is BQTOGUYRLZQQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-10-5-3-6-11(2)14(10)17-20(18,19)13-7-4-8-16-12(13)9-15/h3-8,17H,1-2H3.
What are the key properties of 2-cyano-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide?
2-cyano-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide has a molecular weight of 287.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106595467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).