N-ethyl-N,1-difluoromethanesulfonamide

C3H7F2NO2S — CID 118574624

IUPACN-ethyl-N,1-difluoromethanesulfonamide
SMILESCCN(F)S(=O)(=O)CF
InChIInChI=1S/C3H7F2NO2S/c1-2-6(5)9(7,8)3-4/h2-3H2,1H3
InChIKeyIFEWGLUJTVXKEQ-UHFFFAOYSA-N
MW159.16 g/mol
LogP0.45
Rot. Bonds3

About N-ethyl-N,1-difluoromethanesulfonamide

N-ethyl-N,1-difluoromethanesulfonamide (PubChem CID 118574624) has the molecular formula C3H7F2NO2S and a molecular weight of 159.16 g/mol. Its IUPAC name is N-ethyl-N,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N,1-difluoromethanesulfonamide
PubChem CID118574624
Molecular FormulaC3H7F2NO2S
Molecular Weight159.16 g/mol
Exact Mass159.02
IUPAC NameN-ethyl-N,1-difluoromethanesulfonamide
SMILESCCN(F)S(=O)(=O)CF
InChIInChI=1S/C3H7F2NO2S/c1-2-6(5)9(7,8)3-4/h2-3H2,1H3
InChIKeyIFEWGLUJTVXKEQ-UHFFFAOYSA-N
XLogP0.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.16
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethyl(trifluoromethylsulfonyl)azanide
CID 58427701
N-bromo-N-ethyl-1-fluoromethanesulfonamide
CID 118574433
N-ethyl-N-fluoromethanesulfonamide
CID 118574474
N-chloro-N-ethyl-1-fluoromethanesulfonamide
CID 118574513
N-ethyl-1-fluoro-N-iodomethanesulfonamide
CID 118574544
N,1-difluoro-N-propylmethanesulfonamide
CID 118574596

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,1-difluoromethanesulfonamide?
The IUPAC name of N-ethyl-N,1-difluoromethanesulfonamide (CID 118574624) is N-ethyl-N,1-difluoromethanesulfonamide.
What is the SMILES notation for N-ethyl-N,1-difluoromethanesulfonamide?
The canonical SMILES for N-ethyl-N,1-difluoromethanesulfonamide is CCN(F)S(=O)(=O)CF.
What is the InChIKey of N-ethyl-N,1-difluoromethanesulfonamide?
The InChIKey is IFEWGLUJTVXKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F2NO2S/c1-2-6(5)9(7,8)3-4/h2-3H2,1H3.
What are the key properties of N-ethyl-N,1-difluoromethanesulfonamide?
N-ethyl-N,1-difluoromethanesulfonamide has a molecular weight of 159.16 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,1-difluoromethanesulfonamide is sourced from PubChem (CID 118574624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).