2,2,2-trifluoro-N-(1H-pyrazol-4-yl)ethanesulfonamide

C5H6F3N3O2S — CID 164660968

IUPAC2,2,2-trifluoro-N-(1H-pyrazol-4-yl)ethanesulfonamide
SMILESO=S(=O)(CC(F)(F)F)Nc1cn[nH]c1
InChIInChI=1S/C5H6F3N3O2S/c6-5(7,8)3-14(12,13)11-4-1-9-10-2-4/h1-2,11H,3H2,(H,9,10)
InChIKeyIVWZJDGVDXGQAY-UHFFFAOYSA-N
MW229.18 g/mol
LogP0.71
Rot. Bonds3

About 2,2,2-trifluoro-N-(1H-pyrazol-4-yl)ethanesulfonamide

2,2,2-trifluoro-N-(1H-pyrazol-4-yl)ethanesulfonamide (PubChem CID 164660968) has the molecular formula C5H6F3N3O2S and a molecular weight of 229.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1H-pyrazol-4-yl)ethanesulfonamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1H-pyrazol-4-yl)ethanesulfonamide
PubChem CID164660968
Molecular FormulaC5H6F3N3O2S
Molecular Weight229.18 g/mol
Exact Mass229.01
IUPAC Name2,2,2-trifluoro-N-(1H-pyrazol-4-yl)ethanesulfonamide
SMILESO=S(=O)(CC(F)(F)F)Nc1cn[nH]c1
InChIInChI=1S/C5H6F3N3O2S/c6-5(7,8)3-14(12,13)11-4-1-9-10-2-4/h1-2,11H,3H2,(H,9,10)
InChIKeyIVWZJDGVDXGQAY-UHFFFAOYSA-N
XLogP0.71
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-N-(1H-pyrazol-4-yl)ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1H-pyrazol-4-yl)ethanesulfonamide?
The IUPAC name of 2,2,2-trifluoro-N-(1H-pyrazol-4-yl)ethanesulfonamide (CID 164660968) is 2,2,2-trifluoro-N-(1H-pyrazol-4-yl)ethanesulfonamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1H-pyrazol-4-yl)ethanesulfonamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1H-pyrazol-4-yl)ethanesulfonamide is O=S(=O)(CC(F)(F)F)Nc1cn[nH]c1.
What is the InChIKey of 2,2,2-trifluoro-N-(1H-pyrazol-4-yl)ethanesulfonamide?
The InChIKey is IVWZJDGVDXGQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3O2S/c6-5(7,8)3-14(12,13)11-4-1-9-10-2-4/h1-2,11H,3H2,(H,9,10).
What are the key properties of 2,2,2-trifluoro-N-(1H-pyrazol-4-yl)ethanesulfonamide?
2,2,2-trifluoro-N-(1H-pyrazol-4-yl)ethanesulfonamide has a molecular weight of 229.18 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1H-pyrazol-4-yl)ethanesulfonamide is sourced from PubChem (CID 164660968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).