1,1,2,2,3,3-hexafluoro-N-methyl-3-methylsulfonylpropane-1-sulfonamide

C5H7F6NO4S2 — CID 89054989

IUPAC1,1,2,2,3,3-hexafluoro-N-methyl-3-methylsulfonylpropane-1-sulfonamide
SMILESCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(C)(=O)=O
InChIInChI=1S/C5H7F6NO4S2/c1-12-18(15,16)5(10,11)3(6,7)4(8,9)17(2,13)14/h12H,1-2H3
InChIKeyRZLOWUNKVMOIEQ-UHFFFAOYSA-N
MW323.24 g/mol
LogP0.40
Rot. Bonds5

About 1,1,2,2,3,3-hexafluoro-N-methyl-3-methylsulfonylpropane-1-sulfonamide

1,1,2,2,3,3-hexafluoro-N-methyl-3-methylsulfonylpropane-1-sulfonamide (PubChem CID 89054989) has the molecular formula C5H7F6NO4S2 and a molecular weight of 323.24 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-N-methyl-3-methylsulfonylpropane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-N-methyl-3-methylsulfonylpropane-1-sulfonamide
PubChem CID89054989
Molecular FormulaC5H7F6NO4S2
Molecular Weight323.24 g/mol
Exact Mass322.97
IUPAC Name1,1,2,2,3,3-hexafluoro-N-methyl-3-methylsulfonylpropane-1-sulfonamide
SMILESCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(C)(=O)=O
InChIInChI=1S/C5H7F6NO4S2/c1-12-18(15,16)5(10,11)3(6,7)4(8,9)17(2,13)14/h12H,1-2H3
InChIKeyRZLOWUNKVMOIEQ-UHFFFAOYSA-N
XLogP0.40
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluoro-N-methyl-3-methylsulfonylpropane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-N-methyl-3-methylsulfonylpropane-1-sulfonamide (CID 89054989) is 1,1,2,2,3,3-hexafluoro-N-methyl-3-methylsulfonylpropane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-N-methyl-3-methylsulfonylpropane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-N-methyl-3-methylsulfonylpropane-1-sulfonamide is CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(C)(=O)=O.
What is the InChIKey of 1,1,2,2,3,3-hexafluoro-N-methyl-3-methylsulfonylpropane-1-sulfonamide?
The InChIKey is RZLOWUNKVMOIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F6NO4S2/c1-12-18(15,16)5(10,11)3(6,7)4(8,9)17(2,13)14/h12H,1-2H3.
What are the key properties of 1,1,2,2,3,3-hexafluoro-N-methyl-3-methylsulfonylpropane-1-sulfonamide?
1,1,2,2,3,3-hexafluoro-N-methyl-3-methylsulfonylpropane-1-sulfonamide has a molecular weight of 323.24 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluoro-N-methyl-3-methylsulfonylpropane-1-sulfonamide is sourced from PubChem (CID 89054989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).