2-(dicyanomethyl)-N,N-dimethylbenzenesulfonamide

C11H11N3O2S — CID 112737339

IUPAC2-(dicyanomethyl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1C(C#N)C#N
InChIInChI=1S/C11H11N3O2S/c1-14(2)17(15,16)11-6-4-3-5-10(11)9(7-12)8-13/h3-6,9H,1-2H3
InChIKeyLIYDQKUVBHGHAT-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.07
Rot. Bonds3

About 2-(dicyanomethyl)-N,N-dimethylbenzenesulfonamide

2-(dicyanomethyl)-N,N-dimethylbenzenesulfonamide (PubChem CID 112737339) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 2-(dicyanomethyl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-(dicyanomethyl)-N,N-dimethylbenzenesulfonamide
PubChem CID112737339
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name2-(dicyanomethyl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1C(C#N)C#N
InChIInChI=1S/C11H11N3O2S/c1-14(2)17(15,16)11-6-4-3-5-10(11)9(7-12)8-13/h3-6,9H,1-2H3
InChIKeyLIYDQKUVBHGHAT-UHFFFAOYSA-N
XLogP1.07
TPSA84.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dicyanomethyl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-(dicyanomethyl)-N,N-dimethylbenzenesulfonamide (CID 112737339) is 2-(dicyanomethyl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-(dicyanomethyl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-(dicyanomethyl)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccccc1C(C#N)C#N.
What is the InChIKey of 2-(dicyanomethyl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is LIYDQKUVBHGHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-14(2)17(15,16)11-6-4-3-5-10(11)9(7-12)8-13/h3-6,9H,1-2H3.
What are the key properties of 2-(dicyanomethyl)-N,N-dimethylbenzenesulfonamide?
2-(dicyanomethyl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 249.30 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dicyanomethyl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 112737339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).