1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-4-sulfonamide

C7H10F3N3O2S2 — CID 47038232

IUPAC1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCSC(F)(F)F)cn1
InChIInChI=1S/C7H10F3N3O2S2/c1-13-5-6(4-11-13)17(14,15)12-2-3-16-7(8,9)10/h4-5,12H,2-3H2,1H3
InChIKeyZFUVNEBDTHHCPA-UHFFFAOYSA-N
MW289.30 g/mol
LogP0.95
Rot. Bonds5

About 1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-4-sulfonamide

1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-4-sulfonamide (PubChem CID 47038232) has the molecular formula C7H10F3N3O2S2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-4-sulfonamide
PubChem CID47038232
Molecular FormulaC7H10F3N3O2S2
Molecular Weight289.30 g/mol
Exact Mass289.02
IUPAC Name1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCSC(F)(F)F)cn1
InChIInChI=1S/C7H10F3N3O2S2/c1-13-5-6(4-11-13)17(14,15)12-2-3-16-7(8,9)10/h4-5,12H,2-3H2,1H3
InChIKeyZFUVNEBDTHHCPA-UHFFFAOYSA-N
XLogP0.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-4-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-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-4-sulfonamide (CID 47038232) is 1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCCSC(F)(F)F)cn1.
What is the InChIKey of 1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-4-sulfonamide?
The InChIKey is ZFUVNEBDTHHCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O2S2/c1-13-5-6(4-11-13)17(14,15)12-2-3-16-7(8,9)10/h4-5,12H,2-3H2,1H3.
What are the key properties of 1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-4-sulfonamide?
1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-4-sulfonamide has a molecular weight of 289.30 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 47038232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).