1,1,2,2,3,3,3-heptafluoro-N-(3-methoxypropyl)propane-1-sulfonamide

C7H10F7NO3S — CID 154642827

IUPAC1,1,2,2,3,3,3-heptafluoro-N-(3-methoxypropyl)propane-1-sulfonamide
SMILESCOCCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H10F7NO3S/c1-18-4-2-3-15-19(16,17)7(13,14)5(8,9)6(10,11)12/h15H,2-4H2,1H3
InChIKeyFMCYOPOSTLHUEU-UHFFFAOYSA-N
MW321.21 g/mol
LogP1.73
Rot. Bonds7

About 1,1,2,2,3,3,3-heptafluoro-N-(3-methoxypropyl)propane-1-sulfonamide

1,1,2,2,3,3,3-heptafluoro-N-(3-methoxypropyl)propane-1-sulfonamide (PubChem CID 154642827) has the molecular formula C7H10F7NO3S and a molecular weight of 321.21 g/mol. Its IUPAC name is 1,1,2,2,3,3,3-heptafluoro-N-(3-methoxypropyl)propane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,3-heptafluoro-N-(3-methoxypropyl)propane-1-sulfonamide
PubChem CID154642827
Molecular FormulaC7H10F7NO3S
Molecular Weight321.21 g/mol
Exact Mass321.03
IUPAC Name1,1,2,2,3,3,3-heptafluoro-N-(3-methoxypropyl)propane-1-sulfonamide
SMILESCOCCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H10F7NO3S/c1-18-4-2-3-15-19(16,17)7(13,14)5(8,9)6(10,11)12/h15H,2-4H2,1H3
InChIKeyFMCYOPOSTLHUEU-UHFFFAOYSA-N
XLogP1.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,3-heptafluoro-N-(3-methoxypropyl)propane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3,3-heptafluoro-N-(3-methoxypropyl)propane-1-sulfonamide (CID 154642827) is 1,1,2,2,3,3,3-heptafluoro-N-(3-methoxypropyl)propane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,3-heptafluoro-N-(3-methoxypropyl)propane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3,3-heptafluoro-N-(3-methoxypropyl)propane-1-sulfonamide is COCCCNS(=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-(3-methoxypropyl)propane-1-sulfonamide?
The InChIKey is FMCYOPOSTLHUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F7NO3S/c1-18-4-2-3-15-19(16,17)7(13,14)5(8,9)6(10,11)12/h15H,2-4H2,1H3.
What are the key properties of 1,1,2,2,3,3,3-heptafluoro-N-(3-methoxypropyl)propane-1-sulfonamide?
1,1,2,2,3,3,3-heptafluoro-N-(3-methoxypropyl)propane-1-sulfonamide has a molecular weight of 321.21 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,3-heptafluoro-N-(3-methoxypropyl)propane-1-sulfonamide is sourced from PubChem (CID 154642827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).