1,1,2,2,4,4,4-heptafluorobutane-1-sulfonamide

C4H4F7NO2S — CID 174993352

IUPAC1,1,2,2,4,4,4-heptafluorobutane-1-sulfonamide
SMILESNS(=O)(=O)C(F)(F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C4H4F7NO2S/c5-2(6,1-3(7,8)9)4(10,11)15(12,13)14/h1H2,(H2,12,13,14)
InChIKeyJLBUGFZOCKEIAK-UHFFFAOYSA-N
MW263.13 g/mol
LogP1.46
Rot. Bonds3

About 1,1,2,2,4,4,4-heptafluorobutane-1-sulfonamide

1,1,2,2,4,4,4-heptafluorobutane-1-sulfonamide (PubChem CID 174993352) has the molecular formula C4H4F7NO2S and a molecular weight of 263.13 g/mol. Its IUPAC name is 1,1,2,2,4,4,4-heptafluorobutane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,4,4,4-heptafluorobutane-1-sulfonamide
PubChem CID174993352
Molecular FormulaC4H4F7NO2S
Molecular Weight263.13 g/mol
Exact Mass262.99
IUPAC Name1,1,2,2,4,4,4-heptafluorobutane-1-sulfonamide
SMILESNS(=O)(=O)C(F)(F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C4H4F7NO2S/c5-2(6,1-3(7,8)9)4(10,11)15(12,13)14/h1H2,(H2,12,13,14)
InChIKeyJLBUGFZOCKEIAK-UHFFFAOYSA-N
XLogP1.46
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 51.46
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 1,1,2,2,4,4,4-heptafluorobutane-1-sulfonamide?
The IUPAC name of 1,1,2,2,4,4,4-heptafluorobutane-1-sulfonamide (CID 174993352) is 1,1,2,2,4,4,4-heptafluorobutane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,4,4,4-heptafluorobutane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,4,4,4-heptafluorobutane-1-sulfonamide is NS(=O)(=O)C(F)(F)C(F)(F)CC(F)(F)F.
What is the InChIKey of 1,1,2,2,4,4,4-heptafluorobutane-1-sulfonamide?
The InChIKey is JLBUGFZOCKEIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F7NO2S/c5-2(6,1-3(7,8)9)4(10,11)15(12,13)14/h1H2,(H2,12,13,14).
What are the key properties of 1,1,2,2,4,4,4-heptafluorobutane-1-sulfonamide?
1,1,2,2,4,4,4-heptafluorobutane-1-sulfonamide has a molecular weight of 263.13 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,4,4,4-heptafluorobutane-1-sulfonamide is sourced from PubChem (CID 174993352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).