2-methyl-N-(2,2,2-trifluoroethoxy)pyrazole-3-sulfonamide

C6H8F3N3O3S — CID 104709789

IUPAC2-methyl-N-(2,2,2-trifluoroethoxy)pyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NOCC(F)(F)F
InChIInChI=1S/C6H8F3N3O3S/c1-12-5(2-3-10-12)16(13,14)11-15-4-6(7,8)9/h2-3,11H,4H2,1H3
InChIKeyCULJBVOWMIOHMK-UHFFFAOYSA-N
MW259.21 g/mol
LogP0.19
Rot. Bonds4

About 2-methyl-N-(2,2,2-trifluoroethoxy)pyrazole-3-sulfonamide

2-methyl-N-(2,2,2-trifluoroethoxy)pyrazole-3-sulfonamide (PubChem CID 104709789) has the molecular formula C6H8F3N3O3S and a molecular weight of 259.21 g/mol. Its IUPAC name is 2-methyl-N-(2,2,2-trifluoroethoxy)pyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2,2,2-trifluoroethoxy)pyrazole-3-sulfonamide
PubChem CID104709789
Molecular FormulaC6H8F3N3O3S
Molecular Weight259.21 g/mol
Exact Mass259.02
IUPAC Name2-methyl-N-(2,2,2-trifluoroethoxy)pyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NOCC(F)(F)F
InChIInChI=1S/C6H8F3N3O3S/c1-12-5(2-3-10-12)16(13,14)11-15-4-6(7,8)9/h2-3,11H,4H2,1H3
InChIKeyCULJBVOWMIOHMK-UHFFFAOYSA-N
XLogP0.19
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-methyl-N-(2,2,2-trifluoroethoxy)pyrazole-3-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 2-methyl-N-(2,2,2-trifluoroethoxy)pyrazole-3-sulfonamide?
The IUPAC name of 2-methyl-N-(2,2,2-trifluoroethoxy)pyrazole-3-sulfonamide (CID 104709789) is 2-methyl-N-(2,2,2-trifluoroethoxy)pyrazole-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-(2,2,2-trifluoroethoxy)pyrazole-3-sulfonamide?
The canonical SMILES for 2-methyl-N-(2,2,2-trifluoroethoxy)pyrazole-3-sulfonamide is Cn1nccc1S(=O)(=O)NOCC(F)(F)F.
What is the InChIKey of 2-methyl-N-(2,2,2-trifluoroethoxy)pyrazole-3-sulfonamide?
The InChIKey is CULJBVOWMIOHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O3S/c1-12-5(2-3-10-12)16(13,14)11-15-4-6(7,8)9/h2-3,11H,4H2,1H3.
What are the key properties of 2-methyl-N-(2,2,2-trifluoroethoxy)pyrazole-3-sulfonamide?
2-methyl-N-(2,2,2-trifluoroethoxy)pyrazole-3-sulfonamide has a molecular weight of 259.21 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,2,2-trifluoroethoxy)pyrazole-3-sulfonamide is sourced from PubChem (CID 104709789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).