5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide

C4H4F3N3O2S — CID 130643902

IUPAC5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C4H4F3N3O2S/c5-4(6,7)3-2(1-9-10-3)13(8,11)12/h1H,(H,9,10)(H2,8,11,12)
InChIKeyGETBAJIZFVXFKT-UHFFFAOYSA-N
MW215.16 g/mol
LogP0.08
Rot. Bonds1

About 5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide

5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 130643902) has the molecular formula C4H4F3N3O2S and a molecular weight of 215.16 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide
PubChem CID130643902
Molecular FormulaC4H4F3N3O2S
Molecular Weight215.16 g/mol
Exact Mass215.00
IUPAC Name5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C4H4F3N3O2S/c5-4(6,7)3-2(1-9-10-3)13(8,11)12/h1H,(H,9,10)(H2,8,11,12)
InChIKeyGETBAJIZFVXFKT-UHFFFAOYSA-N
XLogP0.08
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide (CID 130643902) is 5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide is NS(=O)(=O)c1cn[nH]c1C(F)(F)F.
What is the InChIKey of 5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is GETBAJIZFVXFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3N3O2S/c5-4(6,7)3-2(1-9-10-3)13(8,11)12/h1H,(H,9,10)(H2,8,11,12).
What are the key properties of 5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide?
5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 215.16 g/mol, XLogP of 0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 130643902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).