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

C12H11N5O2S — CID 104599450

IUPAC6-cyano-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-sulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(C#N)nc2)n1
InChIInChI=1S/C12H11N5O2S/c1-8-5-9(2)16-12(15-8)17-20(18,19)11-4-3-10(6-13)14-7-11/h3-5,7H,1-2H3,(H,15,16,17)
InChIKeyLGLNIXPWRMRINJ-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.16
Rot. Bonds3

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

6-cyano-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-sulfonamide (PubChem CID 104599450) has the molecular formula C12H11N5O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is 6-cyano-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-sulfonamide
PubChem CID104599450
Molecular FormulaC12H11N5O2S
Molecular Weight289.32 g/mol
Exact Mass289.06
IUPAC Name6-cyano-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-sulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(C#N)nc2)n1
InChIInChI=1S/C12H11N5O2S/c1-8-5-9(2)16-12(15-8)17-20(18,19)11-4-3-10(6-13)14-7-11/h3-5,7H,1-2H3,(H,15,16,17)
InChIKeyLGLNIXPWRMRINJ-UHFFFAOYSA-N
XLogP1.16
TPSA108.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,6-dimethylpyrimidin-2-yl)-6-hydrazinylpyridine-3-sulfonamide
CID 30055222
6-cyano-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide
CID 115602102
6-cyano-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide
CID 115602138
6-cyano-N-(2-methyltetrazol-5-yl)pyridine-3-sulfonamide
CID 114613899
4-(cyanomethyl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 79186466
4-chloro-3-cyano-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 75521913
6-cyano-N-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide
CID 115602143
6-cyano-N-propylpyridine-3-sulfonamide
CID 115602408
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
CID 717519
6-cyano-N-(3-methyl-2-pyridinyl)pyridine-3-sulfonamide
CID 115619546
6-cyano-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide
CID 115602142
N-(4,6-dimethylpyrimidin-2-yl)-4-ethoxybenzenesulfonamide
CID 22202469

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-sulfonamide (CID 104599450) is 6-cyano-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-sulfonamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(C#N)nc2)n1.
What is the InChIKey of 6-cyano-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-sulfonamide?
The InChIKey is LGLNIXPWRMRINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2S/c1-8-5-9(2)16-12(15-8)17-20(18,19)11-4-3-10(6-13)14-7-11/h3-5,7H,1-2H3,(H,15,16,17).
What are the key properties of 6-cyano-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-sulfonamide?
6-cyano-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-sulfonamide has a molecular weight of 289.32 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 104599450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).