1,1,2,2,3,3-hexafluoro-N-methylbutane-1-sulfonamide

C5H7F6NO2S — CID 89367524

IUPAC1,1,2,2,3,3-hexafluoro-N-methylbutane-1-sulfonamide
SMILESCNS(=O)(=O)C(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C5H7F6NO2S/c1-3(6,7)4(8,9)5(10,11)15(13,14)12-2/h12H,1-2H3
InChIKeyVLBANXWRWQRJTB-UHFFFAOYSA-N
MW259.17 g/mol
LogP1.42
Rot. Bonds4

About 1,1,2,2,3,3-hexafluoro-N-methylbutane-1-sulfonamide

1,1,2,2,3,3-hexafluoro-N-methylbutane-1-sulfonamide (PubChem CID 89367524) has the molecular formula C5H7F6NO2S and a molecular weight of 259.17 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-N-methylbutane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-N-methylbutane-1-sulfonamide
PubChem CID89367524
Molecular FormulaC5H7F6NO2S
Molecular Weight259.17 g/mol
Exact Mass259.01
IUPAC Name1,1,2,2,3,3-hexafluoro-N-methylbutane-1-sulfonamide
SMILESCNS(=O)(=O)C(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C5H7F6NO2S/c1-3(6,7)4(8,9)5(10,11)15(13,14)12-2/h12H,1-2H3
InChIKeyVLBANXWRWQRJTB-UHFFFAOYSA-N
XLogP1.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.17
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methylbutane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-N-methylbutane-1-sulfonamide (CID 89367524) is 1,1,2,2,3,3-hexafluoro-N-methylbutane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-N-methylbutane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-N-methylbutane-1-sulfonamide is CNS(=O)(=O)C(F)(F)C(F)(F)C(C)(F)F.
What is the InChIKey of 1,1,2,2,3,3-hexafluoro-N-methylbutane-1-sulfonamide?
The InChIKey is VLBANXWRWQRJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F6NO2S/c1-3(6,7)4(8,9)5(10,11)15(13,14)12-2/h12H,1-2H3.
What are the key properties of 1,1,2,2,3,3-hexafluoro-N-methylbutane-1-sulfonamide?
1,1,2,2,3,3-hexafluoro-N-methylbutane-1-sulfonamide has a molecular weight of 259.17 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluoro-N-methylbutane-1-sulfonamide is sourced from PubChem (CID 89367524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).