6-cyano-N-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide

C13H10FN3O2S — CID 115602143

IUPAC6-cyano-N-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C#N)nc2)cc1F
InChIInChI=1S/C13H10FN3O2S/c1-9-2-3-10(6-13(9)14)17-20(18,19)12-5-4-11(7-15)16-8-12/h2-6,8,17H,1H3
InChIKeyOKGQYUUUJUFJAJ-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.20
Rot. Bonds3

About 6-cyano-N-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide

6-cyano-N-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide (PubChem CID 115602143) has the molecular formula C13H10FN3O2S and a molecular weight of 291.31 g/mol. Its IUPAC name is 6-cyano-N-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide
PubChem CID115602143
Molecular FormulaC13H10FN3O2S
Molecular Weight291.31 g/mol
Exact Mass291.05
IUPAC Name6-cyano-N-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C#N)nc2)cc1F
InChIInChI=1S/C13H10FN3O2S/c1-9-2-3-10(6-13(9)14)17-20(18,19)12-5-4-11(7-15)16-8-12/h2-6,8,17H,1H3
InChIKeyOKGQYUUUJUFJAJ-UHFFFAOYSA-N
XLogP2.20
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyano-N-(3-fluoro-4-methoxyphenyl)pyridine-3-sulfonamide
CID 115602183
6-cyano-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide
CID 115602138
4-cyano-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 8501259
6-cyano-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide
CID 115602102
6-cyano-N-(4-iodophenyl)pyridine-3-sulfonamide
CID 115602123
6-cyano-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide
CID 115602109
N-(2-chloro-4-pyridinyl)-6-cyanopyridine-3-sulfonamide
CID 113356248
6-cyano-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide
CID 114613901
6-cyano-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-sulfonamide
CID 104599450
6-cyano-N-[3-(methylaminomethyl)phenyl]pyridine-3-sulfonamide
CID 114614834
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 2121784
6-cyano-N-(3-methyl-2-pyridinyl)pyridine-3-sulfonamide
CID 115619546

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide (CID 115602143) is 6-cyano-N-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(C#N)nc2)cc1F.
What is the InChIKey of 6-cyano-N-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide?
The InChIKey is OKGQYUUUJUFJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O2S/c1-9-2-3-10(6-13(9)14)17-20(18,19)12-5-4-11(7-15)16-8-12/h2-6,8,17H,1H3.
What are the key properties of 6-cyano-N-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide?
6-cyano-N-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide has a molecular weight of 291.31 g/mol, XLogP of 2.20, 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-fluoro-4-methylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 115602143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).