3-cyano-N-(3,5-dimethylpyrazin-2-yl)benzenesulfonamide

C13H12N4O2S — CID 3790516

IUPAC3-cyano-N-(3,5-dimethylpyrazin-2-yl)benzenesulfonamide
SMILESCc1cnc(NS(=O)(=O)c2cccc(C#N)c2)c(C)n1
InChIInChI=1S/C13H12N4O2S/c1-9-8-15-13(10(2)16-9)17-20(18,19)12-5-3-4-11(6-12)7-14/h3-6,8H,1-2H3,(H,15,17)
InChIKeyXENLLAGTBCDQRL-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.77
Rot. Bonds3

About 3-cyano-N-(3,5-dimethylpyrazin-2-yl)benzenesulfonamide

3-cyano-N-(3,5-dimethylpyrazin-2-yl)benzenesulfonamide (PubChem CID 3790516) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 3-cyano-N-(3,5-dimethylpyrazin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(3,5-dimethylpyrazin-2-yl)benzenesulfonamide
PubChem CID3790516
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name3-cyano-N-(3,5-dimethylpyrazin-2-yl)benzenesulfonamide
SMILESCc1cnc(NS(=O)(=O)c2cccc(C#N)c2)c(C)n1
InChIInChI=1S/C13H12N4O2S/c1-9-8-15-13(10(2)16-9)17-20(18,19)12-5-3-4-11(6-12)7-14/h3-6,8H,1-2H3,(H,15,17)
InChIKeyXENLLAGTBCDQRL-UHFFFAOYSA-N
XLogP1.77
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-amino-3-methyl-2-pyridinyl)-3-cyanobenzenesulfonamide
CID 115910806
3-cyano-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide
CID 24690798
3-cyano-N-(5-fluoropyrimidin-2-yl)benzenesulfonamide
CID 66905539
N-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide
CID 7938773
3-cyano-N-(2,6-difluorophenyl)benzenesulfonamide
CID 8500884
N-(6-bromo-3-pyridinyl)-3-cyanobenzenesulfonamide
CID 103775599
N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-3-cyanobenzenesulfonamide
CID 23076211
3-cyano-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide
CID 64794037
3-cyano-N-quinolin-8-ylbenzenesulfonamide
CID 8823700
3-cyano-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 83093723
3-cyano-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
CID 25331446
N-(2-bromo-5-methylphenyl)-3-cyanobenzenesulfonamide
CID 82705509

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(3,5-dimethylpyrazin-2-yl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(3,5-dimethylpyrazin-2-yl)benzenesulfonamide (CID 3790516) is 3-cyano-N-(3,5-dimethylpyrazin-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(3,5-dimethylpyrazin-2-yl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(3,5-dimethylpyrazin-2-yl)benzenesulfonamide is Cc1cnc(NS(=O)(=O)c2cccc(C#N)c2)c(C)n1.
What is the InChIKey of 3-cyano-N-(3,5-dimethylpyrazin-2-yl)benzenesulfonamide?
The InChIKey is XENLLAGTBCDQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-9-8-15-13(10(2)16-9)17-20(18,19)12-5-3-4-11(6-12)7-14/h3-6,8H,1-2H3,(H,15,17).
What are the key properties of 3-cyano-N-(3,5-dimethylpyrazin-2-yl)benzenesulfonamide?
3-cyano-N-(3,5-dimethylpyrazin-2-yl)benzenesulfonamide has a molecular weight of 288.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(3,5-dimethylpyrazin-2-yl)benzenesulfonamide is sourced from PubChem (CID 3790516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).