1,1,1-trifluoro-N-pyrazol-1-ylmethanesulfonamide

C4H4F3N3O2S — CID 54030574

IUPAC1,1,1-trifluoro-N-pyrazol-1-ylmethanesulfonamide
SMILESO=S(=O)(Nn1cccn1)C(F)(F)F
InChIInChI=1S/C4H4F3N3O2S/c5-4(6,7)13(11,12)9-10-3-1-2-8-10/h1-3,9H
InChIKeyLFHDXGJSEPQJAX-UHFFFAOYSA-N
MW215.16 g/mol
LogP0.28
Rot. Bonds2

About 1,1,1-trifluoro-N-pyrazol-1-ylmethanesulfonamide

1,1,1-trifluoro-N-pyrazol-1-ylmethanesulfonamide (PubChem CID 54030574) has the molecular formula C4H4F3N3O2S and a molecular weight of 215.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-pyrazol-1-ylmethanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-pyrazol-1-ylmethanesulfonamide
PubChem CID54030574
Molecular FormulaC4H4F3N3O2S
Molecular Weight215.16 g/mol
Exact Mass215.00
IUPAC Name1,1,1-trifluoro-N-pyrazol-1-ylmethanesulfonamide
SMILESO=S(=O)(Nn1cccn1)C(F)(F)F
InChIInChI=1S/C4H4F3N3O2S/c5-4(6,7)13(11,12)9-10-3-1-2-8-10/h1-3,9H
InChIKeyLFHDXGJSEPQJAX-UHFFFAOYSA-N
XLogP0.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-pyrazol-1-ylmethanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-pyrazol-1-ylmethanesulfonamide (CID 54030574) is 1,1,1-trifluoro-N-pyrazol-1-ylmethanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-pyrazol-1-ylmethanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-pyrazol-1-ylmethanesulfonamide is O=S(=O)(Nn1cccn1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-pyrazol-1-ylmethanesulfonamide?
The InChIKey is LFHDXGJSEPQJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3N3O2S/c5-4(6,7)13(11,12)9-10-3-1-2-8-10/h1-3,9H.
What are the key properties of 1,1,1-trifluoro-N-pyrazol-1-ylmethanesulfonamide?
1,1,1-trifluoro-N-pyrazol-1-ylmethanesulfonamide has a molecular weight of 215.16 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-pyrazol-1-ylmethanesulfonamide is sourced from PubChem (CID 54030574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).