6-cyano-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide

C14H13N3O2S — CID 115602138

IUPAC6-cyano-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc(C#N)nc2)c1
InChIInChI=1S/C14H13N3O2S/c1-10-5-11(2)7-13(6-10)17-20(18,19)14-4-3-12(8-15)16-9-14/h3-7,9,17H,1-2H3
InChIKeyIDBDBHADGIFQDF-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.37
Rot. Bonds3

About 6-cyano-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide

6-cyano-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide (PubChem CID 115602138) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 6-cyano-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide
PubChem CID115602138
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name6-cyano-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc(C#N)nc2)c1
InChIInChI=1S/C14H13N3O2S/c1-10-5-11(2)7-13(6-10)17-20(18,19)14-4-3-12(8-15)16-9-14/h3-7,9,17H,1-2H3
InChIKeyIDBDBHADGIFQDF-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

6-cyano-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide
CID 115602102
6-cyano-N-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide
CID 115602143
6-cyano-N-(4-iodophenyl)pyridine-3-sulfonamide
CID 115602123
6-cyano-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-sulfonamide
CID 104599450
6-amino-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide
CID 62145055
N-(2-chloro-4-pyridinyl)-6-cyanopyridine-3-sulfonamide
CID 113356248
6-cyano-N-(1-methylpyrazol-4-yl)pyridine-3-sulfonamide
CID 113229615
6-cyano-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide
CID 115602142
6-cyano-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide
CID 114613901
6-cyano-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide
CID 115602109
6-cyano-N-[3-(methylaminomethyl)phenyl]pyridine-3-sulfonamide
CID 114614834
6-cyano-N-(2,5-dibromophenyl)pyridine-3-sulfonamide
CID 115602177

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide (CID 115602138) is 6-cyano-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide is Cc1cc(C)cc(NS(=O)(=O)c2ccc(C#N)nc2)c1.
What is the InChIKey of 6-cyano-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide?
The InChIKey is IDBDBHADGIFQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-10-5-11(2)7-13(6-10)17-20(18,19)14-4-3-12(8-15)16-9-14/h3-7,9,17H,1-2H3.
What are the key properties of 6-cyano-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide?
6-cyano-N-(3,5-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 6-cyano-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 115602138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).