1,1,2,2,3-pentafluoro-N-methylsulfonylpropane-1-sulfonamide

C4H6F5NO4S2 — CID 58108248

IUPAC1,1,2,2,3-pentafluoro-N-methylsulfonylpropane-1-sulfonamide
SMILESCS(=O)(=O)NS(=O)(=O)C(F)(F)C(F)(F)CF
InChIInChI=1S/C4H6F5NO4S2/c1-15(11,12)10-16(13,14)4(8,9)3(6,7)2-5/h10H,2H2,1H3
InChIKeyFFMGCBOQSHPAPV-UHFFFAOYSA-N
MW291.22 g/mol
LogP0.06
Rot. Bonds5

About 1,1,2,2,3-pentafluoro-N-methylsulfonylpropane-1-sulfonamide

1,1,2,2,3-pentafluoro-N-methylsulfonylpropane-1-sulfonamide (PubChem CID 58108248) has the molecular formula C4H6F5NO4S2 and a molecular weight of 291.22 g/mol. Its IUPAC name is 1,1,2,2,3-pentafluoro-N-methylsulfonylpropane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3-pentafluoro-N-methylsulfonylpropane-1-sulfonamide
PubChem CID58108248
Molecular FormulaC4H6F5NO4S2
Molecular Weight291.22 g/mol
Exact Mass290.97
IUPAC Name1,1,2,2,3-pentafluoro-N-methylsulfonylpropane-1-sulfonamide
SMILESCS(=O)(=O)NS(=O)(=O)C(F)(F)C(F)(F)CF
InChIInChI=1S/C4H6F5NO4S2/c1-15(11,12)10-16(13,14)4(8,9)3(6,7)2-5/h10H,2H2,1H3
InChIKeyFFMGCBOQSHPAPV-UHFFFAOYSA-N
XLogP0.06
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1,1,2,2,3-pentafluoro-N-methylsulfonylpropane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3-pentafluoro-N-methylsulfonylpropane-1-sulfonamide (CID 58108248) is 1,1,2,2,3-pentafluoro-N-methylsulfonylpropane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3-pentafluoro-N-methylsulfonylpropane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3-pentafluoro-N-methylsulfonylpropane-1-sulfonamide is CS(=O)(=O)NS(=O)(=O)C(F)(F)C(F)(F)CF.
What is the InChIKey of 1,1,2,2,3-pentafluoro-N-methylsulfonylpropane-1-sulfonamide?
The InChIKey is FFMGCBOQSHPAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F5NO4S2/c1-15(11,12)10-16(13,14)4(8,9)3(6,7)2-5/h10H,2H2,1H3.
What are the key properties of 1,1,2,2,3-pentafluoro-N-methylsulfonylpropane-1-sulfonamide?
1,1,2,2,3-pentafluoro-N-methylsulfonylpropane-1-sulfonamide has a molecular weight of 291.22 g/mol, XLogP of 0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3-pentafluoro-N-methylsulfonylpropane-1-sulfonamide is sourced from PubChem (CID 58108248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).