2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide

C13H13F3N4O3S — CID 5210829

IUPAC2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H13F3N4O3S/c1-8-6-11(13(14,15)16)19-20(8)7-12(21)18-9-2-4-10(5-3-9)24(17,22)23/h2-6H,7H2,1H3,(H,18,21)(H2,17,22,23)
InChIKeyYKQZCNLLMZAULP-UHFFFAOYSA-N
MW362.33 g/mol
LogP1.50
Rot. Bonds4

About 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide

2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 5210829) has the molecular formula C13H13F3N4O3S and a molecular weight of 362.33 g/mol. Its IUPAC name is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide
PubChem CID5210829
Molecular FormulaC13H13F3N4O3S
Molecular Weight362.33 g/mol
Exact Mass362.07
IUPAC Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H13F3N4O3S/c1-8-6-11(13(14,15)16)19-20(8)7-12(21)18-9-2-4-10(5-3-9)24(17,22)23/h2-6H,7H2,1H3,(H,18,21)(H2,17,22,23)
InChIKeyYKQZCNLLMZAULP-UHFFFAOYSA-N
XLogP1.50
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide (CID 5210829) is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide is Cc1cc(C(F)(F)F)nn1CC(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is YKQZCNLLMZAULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O3S/c1-8-6-11(13(14,15)16)19-20(8)7-12(21)18-9-2-4-10(5-3-9)24(17,22)23/h2-6H,7H2,1H3,(H,18,21)(H2,17,22,23).
What are the key properties of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide?
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 362.33 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 5210829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).