N-chloro-N-ethyl-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide

C6H6ClF8NO3S — CID 14928170

IUPACN-chloro-N-ethyl-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide
SMILESCCN(Cl)S(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)F
InChIInChI=1S/C6H6ClF8NO3S/c1-2-16(7)20(17,18)6(14,15)5(12,13)19-4(10,11)3(8)9/h3H,2H2,1H3
InChIKeyULLKKCDSOHVHAT-UHFFFAOYSA-N
MW359.62 g/mol
LogP2.85
Rot. Bonds7

About N-chloro-N-ethyl-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide

N-chloro-N-ethyl-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide (PubChem CID 14928170) has the molecular formula C6H6ClF8NO3S and a molecular weight of 359.62 g/mol. Its IUPAC name is N-chloro-N-ethyl-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide.

Molecular Properties

Compound NameN-chloro-N-ethyl-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide
PubChem CID14928170
Molecular FormulaC6H6ClF8NO3S
Molecular Weight359.62 g/mol
Exact Mass358.96
IUPAC NameN-chloro-N-ethyl-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide
SMILESCCN(Cl)S(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)F
InChIInChI=1S/C6H6ClF8NO3S/c1-2-16(7)20(17,18)6(14,15)5(12,13)19-4(10,11)3(8)9/h3H,2H2,1H3
InChIKeyULLKKCDSOHVHAT-UHFFFAOYSA-N
XLogP2.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.62
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-chloro-N-ethyl-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-chloro-N-ethyl-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide?
The IUPAC name of N-chloro-N-ethyl-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide (CID 14928170) is N-chloro-N-ethyl-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide.
What is the SMILES notation for N-chloro-N-ethyl-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide?
The canonical SMILES for N-chloro-N-ethyl-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide is CCN(Cl)S(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)F.
What is the InChIKey of N-chloro-N-ethyl-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide?
The InChIKey is ULLKKCDSOHVHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF8NO3S/c1-2-16(7)20(17,18)6(14,15)5(12,13)19-4(10,11)3(8)9/h3H,2H2,1H3.
What are the key properties of N-chloro-N-ethyl-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide?
N-chloro-N-ethyl-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide has a molecular weight of 359.62 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-ethyl-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide is sourced from PubChem (CID 14928170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).