2-cyano-N,N-dimethylbenzenesulfonamide

C9H10N2O2S — CID 697873

IUPAC2-cyano-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C9H10N2O2S/c1-11(2)14(12,13)9-6-4-3-5-8(9)7-10/h3-6H,1-2H3
InChIKeyHDKMCORZIWAQDA-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.81
Rot. Bonds2

About 2-cyano-N,N-dimethylbenzenesulfonamide

2-cyano-N,N-dimethylbenzenesulfonamide (PubChem CID 697873) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 2-cyano-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N,N-dimethylbenzenesulfonamide
PubChem CID697873
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name2-cyano-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C9H10N2O2S/c1-11(2)14(12,13)9-6-4-3-5-8(9)7-10/h3-6H,1-2H3
InChIKeyHDKMCORZIWAQDA-UHFFFAOYSA-N
XLogP0.81
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-cyano-N,N-dimethylbenzenesulfonamide (CID 697873) is 2-cyano-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-cyano-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-cyano-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-cyano-N,N-dimethylbenzenesulfonamide?
The InChIKey is HDKMCORZIWAQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-11(2)14(12,13)9-6-4-3-5-8(9)7-10/h3-6H,1-2H3.
What are the key properties of 2-cyano-N,N-dimethylbenzenesulfonamide?
2-cyano-N,N-dimethylbenzenesulfonamide has a molecular weight of 210.26 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 697873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).