1,1,2,2,2-pentafluoro-N-methyl-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide

C5H3F10NO4S2 — CID 58152787

IUPAC1,1,2,2,2-pentafluoro-N-methyl-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide
SMILESCN(S(=O)(=O)C(F)(F)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F10NO4S2/c1-16(21(17,18)4(12,13)2(6,7)8)22(19,20)5(14,15)3(9,10)11/h1H3
InChIKeyROBNAIGQFDUHDK-UHFFFAOYSA-N
MW395.20 g/mol
LogP1.89
Rot. Bonds4

About 1,1,2,2,2-pentafluoro-N-methyl-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide

1,1,2,2,2-pentafluoro-N-methyl-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide (PubChem CID 58152787) has the molecular formula C5H3F10NO4S2 and a molecular weight of 395.20 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoro-N-methyl-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoro-N-methyl-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide
PubChem CID58152787
Molecular FormulaC5H3F10NO4S2
Molecular Weight395.20 g/mol
Exact Mass394.93
IUPAC Name1,1,2,2,2-pentafluoro-N-methyl-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide
SMILESCN(S(=O)(=O)C(F)(F)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F10NO4S2/c1-16(21(17,18)4(12,13)2(6,7)8)22(19,20)5(14,15)3(9,10)11/h1H3
InChIKeyROBNAIGQFDUHDK-UHFFFAOYSA-N
XLogP1.89
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.20
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,1,2,2,2-pentafluoro-N-methyl-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)butane-1-sulfonamide
CID 11342381
2,2,2-trifluoro-N-methyl-N-(trifluoromethylsulfonyl)ethanesulfonamide
CID 312737
1,1,2,2,2-Pentafluoroethylsulfonyl(1,1,2,2-tetrafluoropropylsulfonyl)azanide
CID 58122766
N-ethyl-1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide
CID 58152789
Bis(1,1-difluoroethylsulfonyl)azanide
CID 58312164
4,4,5,5,6,6-Hexafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide
CID 58997829
4,4,5,5,6,6,7,7-Octafluoro-2-methyl-1,3,2-dithiazepane 1,1,3,3-tetraoxide
CID 58997839
1,1-Difluoroethylsulfonyl(trifluoromethylsulfonyl)azanide
CID 59503109
Bis(1,1,2,2-tetrafluoroethylsulfonyl)azanide
CID 59804613
4,4,5,5-Tetrafluoro-2-methyl-1,3,2-dithiazolidine 1,1,3,3-tetraoxide
CID 60055144
1,1,2,2-Tetrafluoro-2-[methyl(1,1,2,2-tetrafluoroethylsulfonyl)sulfamoyl]ethanesulfonic acid
CID 88487531
1,1,2-trifluoro-N-methyl-N-(trifluoromethylsulfonyl)ethanesulfonamide
CID 88582497

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentafluoro-N-methyl-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide?
The IUPAC name of 1,1,2,2,2-pentafluoro-N-methyl-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide (CID 58152787) is 1,1,2,2,2-pentafluoro-N-methyl-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide.
What is the SMILES notation for 1,1,2,2,2-pentafluoro-N-methyl-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide?
The canonical SMILES for 1,1,2,2,2-pentafluoro-N-methyl-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide is CN(S(=O)(=O)C(F)(F)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,2-pentafluoro-N-methyl-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide?
The InChIKey is ROBNAIGQFDUHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F10NO4S2/c1-16(21(17,18)4(12,13)2(6,7)8)22(19,20)5(14,15)3(9,10)11/h1H3.
What are the key properties of 1,1,2,2,2-pentafluoro-N-methyl-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide?
1,1,2,2,2-pentafluoro-N-methyl-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide has a molecular weight of 395.20 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentafluoro-N-methyl-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide is sourced from PubChem (CID 58152787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).