5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide

C6H8F3N3O2S — CID 60911754

IUPAC5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H8F3N3O2S/c1-4-5(2-10-12-4)15(13,14)11-3-6(7,8)9/h2,11H,3H2,1H3,(H,10,12)
InChIKeyAIIOLWSDWMWKNN-UHFFFAOYSA-N
MW243.21 g/mol
LogP0.56
Rot. Bonds3

About 5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide

5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 60911754) has the molecular formula C6H8F3N3O2S and a molecular weight of 243.21 g/mol. Its IUPAC name is 5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
PubChem CID60911754
Molecular FormulaC6H8F3N3O2S
Molecular Weight243.21 g/mol
Exact Mass243.03
IUPAC Name5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H8F3N3O2S/c1-4-5(2-10-12-4)15(13,14)11-3-6(7,8)9/h2,11H,3H2,1H3,(H,10,12)
InChIKeyAIIOLWSDWMWKNN-UHFFFAOYSA-N
XLogP0.56
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (CID 60911754) is 5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is AIIOLWSDWMWKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O2S/c1-4-5(2-10-12-4)15(13,14)11-3-6(7,8)9/h2,11H,3H2,1H3,(H,10,12).
What are the key properties of 5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 243.21 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60911754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).