N-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]sulfonylacetamide

C13H12F3N3O3S — CID 67721487

IUPACN-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)n1nc(C(F)(F)F)cc1-c1ccc(C)cc1
InChIInChI=1S/C13H12F3N3O3S/c1-8-3-5-10(6-4-8)11-7-12(13(14,15)16)17-19(11)23(21,22)18-9(2)20/h3-7H,1-2H3,(H,18,20)
InChIKeyMCUINRUZGLPDCO-UHFFFAOYSA-N
MW347.32 g/mol
LogP2.11
Rot. Bonds3

About N-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]sulfonylacetamide

N-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]sulfonylacetamide (PubChem CID 67721487) has the molecular formula C13H12F3N3O3S and a molecular weight of 347.32 g/mol. Its IUPAC name is N-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]sulfonylacetamide.

Molecular Properties

Compound NameN-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]sulfonylacetamide
PubChem CID67721487
Molecular FormulaC13H12F3N3O3S
Molecular Weight347.32 g/mol
Exact Mass347.06
IUPAC NameN-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)n1nc(C(F)(F)F)cc1-c1ccc(C)cc1
InChIInChI=1S/C13H12F3N3O3S/c1-8-3-5-10(6-4-8)11-7-12(13(14,15)16)17-19(11)23(21,22)18-9(2)20/h3-7H,1-2H3,(H,18,20)
InChIKeyMCUINRUZGLPDCO-UHFFFAOYSA-N
XLogP2.11
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]sulfonylacetamide?
The IUPAC name of N-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]sulfonylacetamide (CID 67721487) is N-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]sulfonylacetamide.
What is the SMILES notation for N-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]sulfonylacetamide?
The canonical SMILES for N-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]sulfonylacetamide is CC(=O)NS(=O)(=O)n1nc(C(F)(F)F)cc1-c1ccc(C)cc1.
What is the InChIKey of N-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]sulfonylacetamide?
The InChIKey is MCUINRUZGLPDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O3S/c1-8-3-5-10(6-4-8)11-7-12(13(14,15)16)17-19(11)23(21,22)18-9(2)20/h3-7H,1-2H3,(H,18,20).
What are the key properties of N-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]sulfonylacetamide?
N-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]sulfonylacetamide has a molecular weight of 347.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]sulfonylacetamide is sourced from PubChem (CID 67721487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).