N-ethyl-1,1-difluoromethanesulfonamide

C3H7F2NO2S — CID 43258972

IUPACN-ethyl-1,1-difluoromethanesulfonamide
SMILESCCNS(=O)(=O)C(F)F
InChIInChI=1S/C3H7F2NO2S/c1-2-6-9(7,8)3(4)5/h3,6H,2H2,1H3
InChIKeyGXXZFUWSSRROGY-UHFFFAOYSA-N
MW159.16 g/mol
LogP0.15
Rot. Bonds3

About N-ethyl-1,1-difluoromethanesulfonamide

N-ethyl-1,1-difluoromethanesulfonamide (PubChem CID 43258972) has the molecular formula C3H7F2NO2S and a molecular weight of 159.16 g/mol. Its IUPAC name is N-ethyl-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-1,1-difluoromethanesulfonamide
PubChem CID43258972
Molecular FormulaC3H7F2NO2S
Molecular Weight159.16 g/mol
Exact Mass159.02
IUPAC NameN-ethyl-1,1-difluoromethanesulfonamide
SMILESCCNS(=O)(=O)C(F)F
InChIInChI=1S/C3H7F2NO2S/c1-2-6-9(7,8)3(4)5/h3,6H,2H2,1H3
InChIKeyGXXZFUWSSRROGY-UHFFFAOYSA-N
XLogP0.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.16
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1-difluoromethanesulfonamide?
The IUPAC name of N-ethyl-1,1-difluoromethanesulfonamide (CID 43258972) is N-ethyl-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-ethyl-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-ethyl-1,1-difluoromethanesulfonamide is CCNS(=O)(=O)C(F)F.
What is the InChIKey of N-ethyl-1,1-difluoromethanesulfonamide?
The InChIKey is GXXZFUWSSRROGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F2NO2S/c1-2-6-9(7,8)3(4)5/h3,6H,2H2,1H3.
What are the key properties of N-ethyl-1,1-difluoromethanesulfonamide?
N-ethyl-1,1-difluoromethanesulfonamide has a molecular weight of 159.16 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 43258972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).