2,4-dicyano-N,3,6-trimethylbenzenesulfonamide

C11H11N3O2S — CID 86043274

IUPAC2,4-dicyano-N,3,6-trimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1c(C)cc(C#N)c(C)c1C#N
InChIInChI=1S/C11H11N3O2S/c1-7-4-9(5-12)8(2)10(6-13)11(7)17(15,16)14-3/h4,14H,1-3H3
InChIKeyXBRNKPHFPJSEQF-UHFFFAOYSA-N
MW249.29 g/mol
LogP0.95
Rot. Bonds2

About 2,4-dicyano-N,3,6-trimethylbenzenesulfonamide

2,4-dicyano-N,3,6-trimethylbenzenesulfonamide (PubChem CID 86043274) has the molecular formula C11H11N3O2S and a molecular weight of 249.29 g/mol. Its IUPAC name is 2,4-dicyano-N,3,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dicyano-N,3,6-trimethylbenzenesulfonamide
PubChem CID86043274
Molecular FormulaC11H11N3O2S
Molecular Weight249.29 g/mol
Exact Mass249.06
IUPAC Name2,4-dicyano-N,3,6-trimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1c(C)cc(C#N)c(C)c1C#N
InChIInChI=1S/C11H11N3O2S/c1-7-4-9(5-12)8(2)10(6-13)11(7)17(15,16)14-3/h4,14H,1-3H3
InChIKeyXBRNKPHFPJSEQF-UHFFFAOYSA-N
XLogP0.95
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dimethylbenzene-1,2,4-tricarbonitrile
CID 12732461
4-cyano-N,3-dimethylbenzenesulfonamide
CID 106832880
4-methyl-5-methylsulfonylbenzene-1,2-dicarbonitrile
CID 22095870
[3,5-dimethyl-4-(methylsulfamoyl)phenyl]boronic acid
CID 91759173
4-cyano-2,5-diethyl-N-methylbenzenesulfonamide
CID 21492097
4-cyano-3-fluoro-N-methylbenzenesulfonamide
CID 126776790
4-(ethylamino)-N,2,6-trimethylbenzenesulfonamide
CID 107328529
N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327642
3-methylbenzene-1,2,4-tricarbonitrile
CID 54234334
2,4,6-tribromo-N-methylbenzenesulfonamide
CID 130548849
3-bromo-5-cyano-4-methylbenzenesulfonyl chloride
CID 130965739
methyl 3-amino-5-cyano-4-methylbenzoate
CID 162342400

Frequently Asked Questions

What is the IUPAC name of 2,4-dicyano-N,3,6-trimethylbenzenesulfonamide?
The IUPAC name of 2,4-dicyano-N,3,6-trimethylbenzenesulfonamide (CID 86043274) is 2,4-dicyano-N,3,6-trimethylbenzenesulfonamide.
What is the SMILES notation for 2,4-dicyano-N,3,6-trimethylbenzenesulfonamide?
The canonical SMILES for 2,4-dicyano-N,3,6-trimethylbenzenesulfonamide is CNS(=O)(=O)c1c(C)cc(C#N)c(C)c1C#N.
What is the InChIKey of 2,4-dicyano-N,3,6-trimethylbenzenesulfonamide?
The InChIKey is XBRNKPHFPJSEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-7-4-9(5-12)8(2)10(6-13)11(7)17(15,16)14-3/h4,14H,1-3H3.
What are the key properties of 2,4-dicyano-N,3,6-trimethylbenzenesulfonamide?
2,4-dicyano-N,3,6-trimethylbenzenesulfonamide has a molecular weight of 249.29 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dicyano-N,3,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 86043274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).