1-cyano-N-(2-fluoroethyl)ethanesulfonamide

C5H9FN2O2S — CID 130504370

IUPAC1-cyano-N-(2-fluoroethyl)ethanesulfonamide
SMILESCC(C#N)S(=O)(=O)NCCF
InChIInChI=1S/C5H9FN2O2S/c1-5(4-7)11(9,10)8-3-2-6/h5,8H,2-3H2,1H3
InChIKeyYPPWQXWSZSDGCX-UHFFFAOYSA-N
MW180.20 g/mol
LogP-0.21
Rot. Bonds4

About 1-cyano-N-(2-fluoroethyl)ethanesulfonamide

1-cyano-N-(2-fluoroethyl)ethanesulfonamide (PubChem CID 130504370) has the molecular formula C5H9FN2O2S and a molecular weight of 180.20 g/mol. Its IUPAC name is 1-cyano-N-(2-fluoroethyl)ethanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-(2-fluoroethyl)ethanesulfonamide
PubChem CID130504370
Molecular FormulaC5H9FN2O2S
Molecular Weight180.20 g/mol
Exact Mass180.04
IUPAC Name1-cyano-N-(2-fluoroethyl)ethanesulfonamide
SMILESCC(C#N)S(=O)(=O)NCCF
InChIInChI=1S/C5H9FN2O2S/c1-5(4-7)11(9,10)8-3-2-6/h5,8H,2-3H2,1H3
InChIKeyYPPWQXWSZSDGCX-UHFFFAOYSA-N
XLogP-0.21
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-fluoroethyl)ethanesulfonamide?
The IUPAC name of 1-cyano-N-(2-fluoroethyl)ethanesulfonamide (CID 130504370) is 1-cyano-N-(2-fluoroethyl)ethanesulfonamide.
What is the SMILES notation for 1-cyano-N-(2-fluoroethyl)ethanesulfonamide?
The canonical SMILES for 1-cyano-N-(2-fluoroethyl)ethanesulfonamide is CC(C#N)S(=O)(=O)NCCF.
What is the InChIKey of 1-cyano-N-(2-fluoroethyl)ethanesulfonamide?
The InChIKey is YPPWQXWSZSDGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN2O2S/c1-5(4-7)11(9,10)8-3-2-6/h5,8H,2-3H2,1H3.
What are the key properties of 1-cyano-N-(2-fluoroethyl)ethanesulfonamide?
1-cyano-N-(2-fluoroethyl)ethanesulfonamide has a molecular weight of 180.20 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-fluoroethyl)ethanesulfonamide is sourced from PubChem (CID 130504370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).