6-cyano-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide

C15H15N3O2S — CID 115602102

IUPAC6-cyano-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)c2ccc(C#N)nc2)c(C)c1
InChIInChI=1S/C15H15N3O2S/c1-10-6-11(2)15(12(3)7-10)18-21(19,20)14-5-4-13(8-16)17-9-14/h4-7,9,18H,1-3H3
InChIKeyPLSDTBFHHZJVHN-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.68
Rot. Bonds3

About 6-cyano-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide

6-cyano-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide (PubChem CID 115602102) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 6-cyano-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide
PubChem CID115602102
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name6-cyano-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)c2ccc(C#N)nc2)c(C)c1
InChIInChI=1S/C15H15N3O2S/c1-10-6-11(2)15(12(3)7-10)18-21(19,20)14-5-4-13(8-16)17-9-14/h4-7,9,18H,1-3H3
InChIKeyPLSDTBFHHZJVHN-UHFFFAOYSA-N
XLogP2.68
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyano-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide
CID 115602138
6-cyano-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-sulfonamide
CID 104599450
6-cyano-N-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide
CID 115602143
6-cyano-N-(3-methyl-2-pyridinyl)pyridine-3-sulfonamide
CID 115619546
6-cyano-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide
CID 115602142
6-cyano-N-(2,5-dibromophenyl)pyridine-3-sulfonamide
CID 115602177
6-cyano-N-(4-iodophenyl)pyridine-3-sulfonamide
CID 115602123
6-cyano-N-propylpyridine-3-sulfonamide
CID 115602408
6-cyano-N-(5-cyano-2-pyridinyl)pyridine-3-sulfonamide
CID 115662563
6-cyano-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
CID 115602469
N-(2-chloro-4-pyridinyl)-6-cyanopyridine-3-sulfonamide
CID 113356248
6-cyano-N-(1-methylpyrazol-4-yl)pyridine-3-sulfonamide
CID 113229615

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide (CID 115602102) is 6-cyano-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide is Cc1cc(C)c(NS(=O)(=O)c2ccc(C#N)nc2)c(C)c1.
What is the InChIKey of 6-cyano-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide?
The InChIKey is PLSDTBFHHZJVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-10-6-11(2)15(12(3)7-10)18-21(19,20)14-5-4-13(8-16)17-9-14/h4-7,9,18H,1-3H3.
What are the key properties of 6-cyano-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide?
6-cyano-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide has a molecular weight of 301.37 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 115602102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).