1,1,2,2,2-pentafluoro-N-pyrazol-1-ylethanesulfonamide

C5H4F5N3O2S — CID 54223785

IUPAC1,1,2,2,2-pentafluoro-N-pyrazol-1-ylethanesulfonamide
SMILESO=S(=O)(Nn1cccn1)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H4F5N3O2S/c6-4(7,8)5(9,10)16(14,15)12-13-3-1-2-11-13/h1-3,12H
InChIKeyQELGOPSDCGRHOU-UHFFFAOYSA-N
MW265.16 g/mol
LogP0.91
Rot. Bonds3

About 1,1,2,2,2-pentafluoro-N-pyrazol-1-ylethanesulfonamide

1,1,2,2,2-pentafluoro-N-pyrazol-1-ylethanesulfonamide (PubChem CID 54223785) has the molecular formula C5H4F5N3O2S and a molecular weight of 265.16 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoro-N-pyrazol-1-ylethanesulfonamide.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoro-N-pyrazol-1-ylethanesulfonamide
PubChem CID54223785
Molecular FormulaC5H4F5N3O2S
Molecular Weight265.16 g/mol
Exact Mass264.99
IUPAC Name1,1,2,2,2-pentafluoro-N-pyrazol-1-ylethanesulfonamide
SMILESO=S(=O)(Nn1cccn1)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H4F5N3O2S/c6-4(7,8)5(9,10)16(14,15)12-13-3-1-2-11-13/h1-3,12H
InChIKeyQELGOPSDCGRHOU-UHFFFAOYSA-N
XLogP0.91
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.16
LogP ≤ 50.91
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 1,1,2,2,2-pentafluoro-N-pyrazol-1-ylethanesulfonamide?
The IUPAC name of 1,1,2,2,2-pentafluoro-N-pyrazol-1-ylethanesulfonamide (CID 54223785) is 1,1,2,2,2-pentafluoro-N-pyrazol-1-ylethanesulfonamide.
What is the SMILES notation for 1,1,2,2,2-pentafluoro-N-pyrazol-1-ylethanesulfonamide?
The canonical SMILES for 1,1,2,2,2-pentafluoro-N-pyrazol-1-ylethanesulfonamide is O=S(=O)(Nn1cccn1)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,2-pentafluoro-N-pyrazol-1-ylethanesulfonamide?
The InChIKey is QELGOPSDCGRHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F5N3O2S/c6-4(7,8)5(9,10)16(14,15)12-13-3-1-2-11-13/h1-3,12H.
What are the key properties of 1,1,2,2,2-pentafluoro-N-pyrazol-1-ylethanesulfonamide?
1,1,2,2,2-pentafluoro-N-pyrazol-1-ylethanesulfonamide has a molecular weight of 265.16 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentafluoro-N-pyrazol-1-ylethanesulfonamide is sourced from PubChem (CID 54223785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).