5-cyano-N,N-dimethylfuran-2-sulfonamide

C7H8N2O3S — CID 39733385

IUPAC5-cyano-N,N-dimethylfuran-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C#N)o1
InChIInChI=1S/C7H8N2O3S/c1-9(2)13(10,11)7-4-3-6(5-8)12-7/h3-4H,1-2H3
InChIKeyIBDBMESSGLMGQS-UHFFFAOYSA-N
MW200.22 g/mol
LogP0.40
Rot. Bonds2

About 5-cyano-N,N-dimethylfuran-2-sulfonamide

5-cyano-N,N-dimethylfuran-2-sulfonamide (PubChem CID 39733385) has the molecular formula C7H8N2O3S and a molecular weight of 200.22 g/mol. Its IUPAC name is 5-cyano-N,N-dimethylfuran-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N,N-dimethylfuran-2-sulfonamide
PubChem CID39733385
Molecular FormulaC7H8N2O3S
Molecular Weight200.22 g/mol
Exact Mass200.03
IUPAC Name5-cyano-N,N-dimethylfuran-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C#N)o1
InChIInChI=1S/C7H8N2O3S/c1-9(2)13(10,11)7-4-3-6(5-8)12-7/h3-4H,1-2H3
InChIKeyIBDBMESSGLMGQS-UHFFFAOYSA-N
XLogP0.40
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N,N-dimethylfuran-2-sulfonamide?
The IUPAC name of 5-cyano-N,N-dimethylfuran-2-sulfonamide (CID 39733385) is 5-cyano-N,N-dimethylfuran-2-sulfonamide.
What is the SMILES notation for 5-cyano-N,N-dimethylfuran-2-sulfonamide?
The canonical SMILES for 5-cyano-N,N-dimethylfuran-2-sulfonamide is CN(C)S(=O)(=O)c1ccc(C#N)o1.
What is the InChIKey of 5-cyano-N,N-dimethylfuran-2-sulfonamide?
The InChIKey is IBDBMESSGLMGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3S/c1-9(2)13(10,11)7-4-3-6(5-8)12-7/h3-4H,1-2H3.
What are the key properties of 5-cyano-N,N-dimethylfuran-2-sulfonamide?
5-cyano-N,N-dimethylfuran-2-sulfonamide has a molecular weight of 200.22 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N,N-dimethylfuran-2-sulfonamide is sourced from PubChem (CID 39733385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).