1,1,2,2-tetrafluoro-N-methyl-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide

C5H4F8INO3S — CID 14926334

IUPAC1,1,2,2-tetrafluoro-N-methyl-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide
SMILESCNS(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)I
InChIInChI=1S/C5H4F8INO3S/c1-15-19(16,17)5(12,13)4(10,11)18-3(8,9)2(6,7)14/h15H,1H3
InChIKeyNAIPHNZIKGOHCH-UHFFFAOYSA-N
MW437.05 g/mol
LogP2.36
Rot. Bonds6

About 1,1,2,2-tetrafluoro-N-methyl-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide

1,1,2,2-tetrafluoro-N-methyl-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide (PubChem CID 14926334) has the molecular formula C5H4F8INO3S and a molecular weight of 437.05 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-N-methyl-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-N-methyl-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide
PubChem CID14926334
Molecular FormulaC5H4F8INO3S
Molecular Weight437.05 g/mol
Exact Mass436.88
IUPAC Name1,1,2,2-tetrafluoro-N-methyl-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide
SMILESCNS(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)I
InChIInChI=1S/C5H4F8INO3S/c1-15-19(16,17)5(12,13)4(10,11)18-3(8,9)2(6,7)14/h15H,1H3
InChIKeyNAIPHNZIKGOHCH-UHFFFAOYSA-N
XLogP2.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.05
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1,1,2,2-tetrafluoro-N-methyl-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)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 1,1,2,2-tetrafluoro-N-methyl-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide?
The IUPAC name of 1,1,2,2-tetrafluoro-N-methyl-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide (CID 14926334) is 1,1,2,2-tetrafluoro-N-methyl-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide.
What is the SMILES notation for 1,1,2,2-tetrafluoro-N-methyl-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide?
The canonical SMILES for 1,1,2,2-tetrafluoro-N-methyl-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide is CNS(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)I.
What is the InChIKey of 1,1,2,2-tetrafluoro-N-methyl-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide?
The InChIKey is NAIPHNZIKGOHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F8INO3S/c1-15-19(16,17)5(12,13)4(10,11)18-3(8,9)2(6,7)14/h15H,1H3.
What are the key properties of 1,1,2,2-tetrafluoro-N-methyl-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide?
1,1,2,2-tetrafluoro-N-methyl-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide has a molecular weight of 437.05 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-N-methyl-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide is sourced from PubChem (CID 14926334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).