N-(2,2-difluoroethyl)ethanesulfonamide

C4H9F2NO2S — CID 79089686

IUPACN-(2,2-difluoroethyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCC(F)F
InChIInChI=1S/C4H9F2NO2S/c1-2-10(8,9)7-3-4(5)6/h4,7H,2-3H2,1H3
InChIKeyKFCIYIVJIGYXDG-UHFFFAOYSA-N
MW173.18 g/mol
LogP0.19
Rot. Bonds4

About N-(2,2-difluoroethyl)ethanesulfonamide

N-(2,2-difluoroethyl)ethanesulfonamide (PubChem CID 79089686) has the molecular formula C4H9F2NO2S and a molecular weight of 173.18 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)ethanesulfonamide
PubChem CID79089686
Molecular FormulaC4H9F2NO2S
Molecular Weight173.18 g/mol
Exact Mass173.03
IUPAC NameN-(2,2-difluoroethyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCC(F)F
InChIInChI=1S/C4H9F2NO2S/c1-2-10(8,9)7-3-4(5)6/h4,7H,2-3H2,1H3
InChIKeyKFCIYIVJIGYXDG-UHFFFAOYSA-N
XLogP0.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)ethanesulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)ethanesulfonamide (CID 79089686) is N-(2,2-difluoroethyl)ethanesulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)ethanesulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)ethanesulfonamide is CCS(=O)(=O)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)ethanesulfonamide?
The InChIKey is KFCIYIVJIGYXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NO2S/c1-2-10(8,9)7-3-4(5)6/h4,7H,2-3H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)ethanesulfonamide?
N-(2,2-difluoroethyl)ethanesulfonamide has a molecular weight of 173.18 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)ethanesulfonamide is sourced from PubChem (CID 79089686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).