1-ethyl-3-(trifluoromethyl)pyrazole-5-sulfonamide

C6H8F3N3O2S — CID 62408935

IUPAC1-ethyl-3-(trifluoromethyl)pyrazole-5-sulfonamide
SMILESCCn1nc(C(F)(F)F)cc1S(N)(=O)=O
InChIInChI=1S/C6H8F3N3O2S/c1-2-12-5(15(10,13)14)3-4(11-12)6(7,8)9/h3H,2H2,1H3,(H2,10,13,14)
InChIKeyJUZCLJMPSISQAG-UHFFFAOYSA-N
MW243.21 g/mol
LogP0.57
Rot. Bonds2

About 1-ethyl-3-(trifluoromethyl)pyrazole-5-sulfonamide

1-ethyl-3-(trifluoromethyl)pyrazole-5-sulfonamide (PubChem CID 62408935) has the molecular formula C6H8F3N3O2S and a molecular weight of 243.21 g/mol. Its IUPAC name is 1-ethyl-3-(trifluoromethyl)pyrazole-5-sulfonamide.

Molecular Properties

Compound Name1-ethyl-3-(trifluoromethyl)pyrazole-5-sulfonamide
PubChem CID62408935
Molecular FormulaC6H8F3N3O2S
Molecular Weight243.21 g/mol
Exact Mass243.03
IUPAC Name1-ethyl-3-(trifluoromethyl)pyrazole-5-sulfonamide
SMILESCCn1nc(C(F)(F)F)cc1S(N)(=O)=O
InChIInChI=1S/C6H8F3N3O2S/c1-2-12-5(15(10,13)14)3-4(11-12)6(7,8)9/h3H,2H2,1H3,(H2,10,13,14)
InChIKeyJUZCLJMPSISQAG-UHFFFAOYSA-N
XLogP0.57
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-3-(trifluoromethyl)pyrazole-5-sulfonamide 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 1-ethyl-3-(trifluoromethyl)pyrazole-5-sulfonamide?
The IUPAC name of 1-ethyl-3-(trifluoromethyl)pyrazole-5-sulfonamide (CID 62408935) is 1-ethyl-3-(trifluoromethyl)pyrazole-5-sulfonamide.
What is the SMILES notation for 1-ethyl-3-(trifluoromethyl)pyrazole-5-sulfonamide?
The canonical SMILES for 1-ethyl-3-(trifluoromethyl)pyrazole-5-sulfonamide is CCn1nc(C(F)(F)F)cc1S(N)(=O)=O.
What is the InChIKey of 1-ethyl-3-(trifluoromethyl)pyrazole-5-sulfonamide?
The InChIKey is JUZCLJMPSISQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O2S/c1-2-12-5(15(10,13)14)3-4(11-12)6(7,8)9/h3H,2H2,1H3,(H2,10,13,14).
What are the key properties of 1-ethyl-3-(trifluoromethyl)pyrazole-5-sulfonamide?
1-ethyl-3-(trifluoromethyl)pyrazole-5-sulfonamide has a molecular weight of 243.21 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(trifluoromethyl)pyrazole-5-sulfonamide is sourced from PubChem (CID 62408935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).