N-ethyl-2,2-difluoroethanesulfonamide

C4H9F2NO2S — CID 54439869

IUPACN-ethyl-2,2-difluoroethanesulfonamide
SMILESCCNS(=O)(=O)CC(F)F
InChIInChI=1S/C4H9F2NO2S/c1-2-7-10(8,9)3-4(5)6/h4,7H,2-3H2,1H3
InChIKeyWNIQXFRNTTVNJE-UHFFFAOYSA-N
MW173.18 g/mol
LogP0.19
Rot. Bonds4

About N-ethyl-2,2-difluoroethanesulfonamide

N-ethyl-2,2-difluoroethanesulfonamide (PubChem CID 54439869) has the molecular formula C4H9F2NO2S and a molecular weight of 173.18 g/mol. Its IUPAC name is N-ethyl-2,2-difluoroethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2,2-difluoroethanesulfonamide
PubChem CID54439869
Molecular FormulaC4H9F2NO2S
Molecular Weight173.18 g/mol
Exact Mass173.03
IUPAC NameN-ethyl-2,2-difluoroethanesulfonamide
SMILESCCNS(=O)(=O)CC(F)F
InChIInChI=1S/C4H9F2NO2S/c1-2-7-10(8,9)3-4(5)6/h4,7H,2-3H2,1H3
InChIKeyWNIQXFRNTTVNJE-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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Related Compounds

N-ethyl perfluorobutanesulfonamide
CID 14661392
N-ethylethane-1-sulfonamide
CID 3302035
1,1,1-trifluoro-N-propylmethanesulfonamide
CID 43258989
3,3,3-trifluoro-N-methylpropane-1-sulfonamide
CID 88571719
N-Ethylperfluoroethanesulfonamide
CID 44717412
N-ethyl perfluoropropane sulfonamide
CID 129294817
2-amino-3,3,3-trifluoro-N,N-dimethylpropane-1-sulfonamide
CID 119030899
N-(2,2-difluoropropyl)methanesulfonamide
CID 18686371
2,2,2-trifluoro-N-methylethanesulfonamide
CID 20718422
N-ethyl-2,2,2-trifluoroethanesulfonamide
CID 20718448
N-(2,2-dimethylpropyl)-2,2,2-trifluoroethanesulfonamide
CID 21027126
N-(2,2,2-trifluoroethyl)butane-2-sulfonamide
CID 21029736

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-difluoroethanesulfonamide?
The IUPAC name of N-ethyl-2,2-difluoroethanesulfonamide (CID 54439869) is N-ethyl-2,2-difluoroethanesulfonamide.
What is the SMILES notation for N-ethyl-2,2-difluoroethanesulfonamide?
The canonical SMILES for N-ethyl-2,2-difluoroethanesulfonamide is CCNS(=O)(=O)CC(F)F.
What is the InChIKey of N-ethyl-2,2-difluoroethanesulfonamide?
The InChIKey is WNIQXFRNTTVNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NO2S/c1-2-7-10(8,9)3-4(5)6/h4,7H,2-3H2,1H3.
What are the key properties of N-ethyl-2,2-difluoroethanesulfonamide?
N-ethyl-2,2-difluoroethanesulfonamide 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-ethyl-2,2-difluoroethanesulfonamide is sourced from PubChem (CID 54439869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).