1,1,2,2,3,3,3-heptafluoro-N-methylpropane-1-sulfonamide

C4H4F7NO2S — CID 22590244

IUPAC1,1,2,2,3,3,3-heptafluoro-N-methylpropane-1-sulfonamide
SMILESCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H4F7NO2S/c1-12-15(13,14)4(10,11)2(5,6)3(7,8)9/h12H,1H3
InChIKeyBVYZEFGWAUUMDL-UHFFFAOYSA-N
MW263.13 g/mol
LogP1.33
Rot. Bonds3

About 1,1,2,2,3,3,3-heptafluoro-N-methylpropane-1-sulfonamide

1,1,2,2,3,3,3-heptafluoro-N-methylpropane-1-sulfonamide (PubChem CID 22590244) has the molecular formula C4H4F7NO2S and a molecular weight of 263.13 g/mol. Its IUPAC name is 1,1,2,2,3,3,3-heptafluoro-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,3-heptafluoro-N-methylpropane-1-sulfonamide
PubChem CID22590244
Molecular FormulaC4H4F7NO2S
Molecular Weight263.13 g/mol
Exact Mass262.99
IUPAC Name1,1,2,2,3,3,3-heptafluoro-N-methylpropane-1-sulfonamide
SMILESCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H4F7NO2S/c1-12-15(13,14)4(10,11)2(5,6)3(7,8)9/h12H,1H3
InChIKeyBVYZEFGWAUUMDL-UHFFFAOYSA-N
XLogP1.33
TPSA46.17 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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide
CID 109968
1-Heptanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-methyl-
CID 109951
Tridecafluoro-N-methylhexanesulphonamide
CID 109952
1-Pentanesulfonamide, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-methyl-
CID 109969
N-Methylperfluorooctanesulfonamide
CID 3034468
N-ethyl perfluorobutanesulfonamide
CID 14661392
N-Ethyl perfluoropentane sulfonamide
CID 19931110
N-Methyl-d3-perfluorooctanesulfonamide
CID 102403774
N-methyl perfluoro-1-decane sulfonamide
CID 18947356
N-methyl perfluoro-1-ethane sulfonamide
CID 59030189
N-ethyl perfluoropropane sulfonamide
CID 129294817
1,1,2,2,3,3,4,4,4-Nonafluoro-N-methyl-1-butanesulfinamide
CID 549846

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,3-heptafluoro-N-methylpropane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3,3-heptafluoro-N-methylpropane-1-sulfonamide (CID 22590244) is 1,1,2,2,3,3,3-heptafluoro-N-methylpropane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,3-heptafluoro-N-methylpropane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3,3-heptafluoro-N-methylpropane-1-sulfonamide is CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,3-heptafluoro-N-methylpropane-1-sulfonamide?
The InChIKey is BVYZEFGWAUUMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F7NO2S/c1-12-15(13,14)4(10,11)2(5,6)3(7,8)9/h12H,1H3.
What are the key properties of 1,1,2,2,3,3,3-heptafluoro-N-methylpropane-1-sulfonamide?
1,1,2,2,3,3,3-heptafluoro-N-methylpropane-1-sulfonamide has a molecular weight of 263.13 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,3-heptafluoro-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 22590244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).