1,1,1-trifluoro-N-(1H-pyrazol-4-yl)methanesulfonamide

C4H4F3N3O2S — CID 43540605

IUPAC1,1,1-trifluoro-N-(1H-pyrazol-4-yl)methanesulfonamide
SMILESO=S(=O)(Nc1cn[nH]c1)C(F)(F)F
InChIInChI=1S/C4H4F3N3O2S/c5-4(6,7)13(11,12)10-3-1-8-9-2-3/h1-2,10H,(H,8,9)
InChIKeyABMJQTRKIIRXOJ-UHFFFAOYSA-N
MW215.16 g/mol
LogP0.67
Rot. Bonds2

About 1,1,1-trifluoro-N-(1H-pyrazol-4-yl)methanesulfonamide

1,1,1-trifluoro-N-(1H-pyrazol-4-yl)methanesulfonamide (PubChem CID 43540605) has the molecular formula C4H4F3N3O2S and a molecular weight of 215.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(1H-pyrazol-4-yl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(1H-pyrazol-4-yl)methanesulfonamide
PubChem CID43540605
Molecular FormulaC4H4F3N3O2S
Molecular Weight215.16 g/mol
Exact Mass215.00
IUPAC Name1,1,1-trifluoro-N-(1H-pyrazol-4-yl)methanesulfonamide
SMILESO=S(=O)(Nc1cn[nH]c1)C(F)(F)F
InChIInChI=1S/C4H4F3N3O2S/c5-4(6,7)13(11,12)10-3-1-8-9-2-3/h1-2,10H,(H,8,9)
InChIKeyABMJQTRKIIRXOJ-UHFFFAOYSA-N
XLogP0.67
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(1H-pyrazol-4-yl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(1H-pyrazol-4-yl)methanesulfonamide (CID 43540605) is 1,1,1-trifluoro-N-(1H-pyrazol-4-yl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(1H-pyrazol-4-yl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(1H-pyrazol-4-yl)methanesulfonamide is O=S(=O)(Nc1cn[nH]c1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(1H-pyrazol-4-yl)methanesulfonamide?
The InChIKey is ABMJQTRKIIRXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3N3O2S/c5-4(6,7)13(11,12)10-3-1-8-9-2-3/h1-2,10H,(H,8,9).
What are the key properties of 1,1,1-trifluoro-N-(1H-pyrazol-4-yl)methanesulfonamide?
1,1,1-trifluoro-N-(1H-pyrazol-4-yl)methanesulfonamide has a molecular weight of 215.16 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(1H-pyrazol-4-yl)methanesulfonamide is sourced from PubChem (CID 43540605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).