N-ethyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide

C5H6F7NO2S — CID 129294817

IUPACN-ethyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide
SMILESCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H6F7NO2S/c1-2-13-16(14,15)5(11,12)3(6,7)4(8,9)10/h13H,2H2,1H3
InChIKeyYLXKUKZPBUXBRV-UHFFFAOYSA-N
MW277.16 g/mol
LogP1.72
Rot. Bonds4

About N-ethyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide

N-ethyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide (PubChem CID 129294817) has the molecular formula C5H6F7NO2S and a molecular weight of 277.16 g/mol. Its IUPAC name is N-ethyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide
PubChem CID129294817
Molecular FormulaC5H6F7NO2S
Molecular Weight277.16 g/mol
Exact Mass277.00
IUPAC NameN-ethyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide
SMILESCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H6F7NO2S/c1-2-13-16(14,15)5(11,12)3(6,7)4(8,9)10/h13H,2H2,1H3
InChIKeyYLXKUKZPBUXBRV-UHFFFAOYSA-N
XLogP1.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 51.72
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 N-ethyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide?
The IUPAC name of N-ethyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide (CID 129294817) is N-ethyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide.
What is the SMILES notation for N-ethyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide?
The canonical SMILES for N-ethyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide is CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-ethyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide?
The InChIKey is YLXKUKZPBUXBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F7NO2S/c1-2-13-16(14,15)5(11,12)3(6,7)4(8,9)10/h13H,2H2,1H3.
What are the key properties of N-ethyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide?
N-ethyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide has a molecular weight of 277.16 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide is sourced from PubChem (CID 129294817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).