N-ethyl-N,2-difluoroethanesulfonamide

C4H9F2NO2S — CID 118574450

IUPACN-ethyl-N,2-difluoroethanesulfonamide
SMILESCCN(F)S(=O)(=O)CCF
InChIInChI=1S/C4H9F2NO2S/c1-2-7(6)10(8,9)4-3-5/h2-4H2,1H3
InChIKeyQGMGTCLZVDIRLU-UHFFFAOYSA-N
MW173.18 g/mol
LogP0.49
Rot. Bonds4

About N-ethyl-N,2-difluoroethanesulfonamide

N-ethyl-N,2-difluoroethanesulfonamide (PubChem CID 118574450) has the molecular formula C4H9F2NO2S and a molecular weight of 173.18 g/mol. Its IUPAC name is N-ethyl-N,2-difluoroethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N,2-difluoroethanesulfonamide
PubChem CID118574450
Molecular FormulaC4H9F2NO2S
Molecular Weight173.18 g/mol
Exact Mass173.03
IUPAC NameN-ethyl-N,2-difluoroethanesulfonamide
SMILESCCN(F)S(=O)(=O)CCF
InChIInChI=1S/C4H9F2NO2S/c1-2-7(6)10(8,9)4-3-5/h2-4H2,1H3
InChIKeyQGMGTCLZVDIRLU-UHFFFAOYSA-N
XLogP0.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,2-difluoroethanesulfonamide?
The IUPAC name of N-ethyl-N,2-difluoroethanesulfonamide (CID 118574450) is N-ethyl-N,2-difluoroethanesulfonamide.
What is the SMILES notation for N-ethyl-N,2-difluoroethanesulfonamide?
The canonical SMILES for N-ethyl-N,2-difluoroethanesulfonamide is CCN(F)S(=O)(=O)CCF.
What is the InChIKey of N-ethyl-N,2-difluoroethanesulfonamide?
The InChIKey is QGMGTCLZVDIRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NO2S/c1-2-7(6)10(8,9)4-3-5/h2-4H2,1H3.
What are the key properties of N-ethyl-N,2-difluoroethanesulfonamide?
N-ethyl-N,2-difluoroethanesulfonamide has a molecular weight of 173.18 g/mol, XLogP of 0.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,2-difluoroethanesulfonamide is sourced from PubChem (CID 118574450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).