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

C8H12F7NO2S — CID 129294809

IUPAC1,1,2,2,3,3,3-heptafluoro-N-pentylpropane-1-sulfonamide
SMILESCCCCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H12F7NO2S/c1-2-3-4-5-16-19(17,18)8(14,15)6(9,10)7(11,12)13/h16H,2-5H2,1H3
InChIKeyNQDHQTNLWVAKDZ-UHFFFAOYSA-N
MW319.24 g/mol
LogP2.89
Rot. Bonds7

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

1,1,2,2,3,3,3-heptafluoro-N-pentylpropane-1-sulfonamide (PubChem CID 129294809) has the molecular formula C8H12F7NO2S and a molecular weight of 319.24 g/mol. Its IUPAC name is 1,1,2,2,3,3,3-heptafluoro-N-pentylpropane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,3-heptafluoro-N-pentylpropane-1-sulfonamide
PubChem CID129294809
Molecular FormulaC8H12F7NO2S
Molecular Weight319.24 g/mol
Exact Mass319.05
IUPAC Name1,1,2,2,3,3,3-heptafluoro-N-pentylpropane-1-sulfonamide
SMILESCCCCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H12F7NO2S/c1-2-3-4-5-16-19(17,18)8(14,15)6(9,10)7(11,12)13/h16H,2-5H2,1H3
InChIKeyNQDHQTNLWVAKDZ-UHFFFAOYSA-N
XLogP2.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.24
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-pentylpropane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3,3-heptafluoro-N-pentylpropane-1-sulfonamide (CID 129294809) is 1,1,2,2,3,3,3-heptafluoro-N-pentylpropane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,3-heptafluoro-N-pentylpropane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3,3-heptafluoro-N-pentylpropane-1-sulfonamide is CCCCCNS(=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-pentylpropane-1-sulfonamide?
The InChIKey is NQDHQTNLWVAKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F7NO2S/c1-2-3-4-5-16-19(17,18)8(14,15)6(9,10)7(11,12)13/h16H,2-5H2,1H3.
What are the key properties of 1,1,2,2,3,3,3-heptafluoro-N-pentylpropane-1-sulfonamide?
1,1,2,2,3,3,3-heptafluoro-N-pentylpropane-1-sulfonamide has a molecular weight of 319.24 g/mol, XLogP of 2.89, 7 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-pentylpropane-1-sulfonamide is sourced from PubChem (CID 129294809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).