1-(trifluoromethyl)pyrazole-4-sulfonamide

C4H4F3N3O2S — CID 140565044

IUPAC1-(trifluoromethyl)pyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1cnn(C(F)(F)F)c1
InChIInChI=1S/C4H4F3N3O2S/c5-4(6,7)10-2-3(1-9-10)13(8,11)12/h1-2H,(H2,8,11,12)
InChIKeyBKBIIMATRNMWCT-UHFFFAOYSA-N
MW215.16 g/mol
LogP0.01
Rot. Bonds1

About 1-(trifluoromethyl)pyrazole-4-sulfonamide

1-(trifluoromethyl)pyrazole-4-sulfonamide (PubChem CID 140565044) has the molecular formula C4H4F3N3O2S and a molecular weight of 215.16 g/mol. Its IUPAC name is 1-(trifluoromethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(trifluoromethyl)pyrazole-4-sulfonamide
PubChem CID140565044
Molecular FormulaC4H4F3N3O2S
Molecular Weight215.16 g/mol
Exact Mass215.00
IUPAC Name1-(trifluoromethyl)pyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1cnn(C(F)(F)F)c1
InChIInChI=1S/C4H4F3N3O2S/c5-4(6,7)10-2-3(1-9-10)13(8,11)12/h1-2H,(H2,8,11,12)
InChIKeyBKBIIMATRNMWCT-UHFFFAOYSA-N
XLogP0.01
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(trifluoromethyl)pyrazole-4-sulfonamide (CID 140565044) is 1-(trifluoromethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(trifluoromethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(trifluoromethyl)pyrazole-4-sulfonamide is NS(=O)(=O)c1cnn(C(F)(F)F)c1.
What is the InChIKey of 1-(trifluoromethyl)pyrazole-4-sulfonamide?
The InChIKey is BKBIIMATRNMWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3N3O2S/c5-4(6,7)10-2-3(1-9-10)13(8,11)12/h1-2H,(H2,8,11,12).
What are the key properties of 1-(trifluoromethyl)pyrazole-4-sulfonamide?
1-(trifluoromethyl)pyrazole-4-sulfonamide has a molecular weight of 215.16 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 140565044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).