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

C15H17F3N4O3S — CID 3244508

IUPACN-[4-(ethylsulfamoyl)phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C)cc1
InChIInChI=1S/C15H17F3N4O3S/c1-3-19-26(24,25)12-6-4-11(5-7-12)20-14(23)9-22-10(2)8-13(21-22)15(16,17)18/h4-8,19H,3,9H2,1-2H3,(H,20,23)
InChIKeyGQBRXUNMTYDTLV-UHFFFAOYSA-N
MW390.39 g/mol
LogP2.15
Rot. Bonds6

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

N-[4-(ethylsulfamoyl)phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 3244508) has the molecular formula C15H17F3N4O3S and a molecular weight of 390.39 g/mol. Its IUPAC name is N-[4-(ethylsulfamoyl)phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(ethylsulfamoyl)phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID3244508
Molecular FormulaC15H17F3N4O3S
Molecular Weight390.39 g/mol
Exact Mass390.10
IUPAC NameN-[4-(ethylsulfamoyl)phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C)cc1
InChIInChI=1S/C15H17F3N4O3S/c1-3-19-26(24,25)12-6-4-11(5-7-12)20-14(23)9-22-10(2)8-13(21-22)15(16,17)18/h4-8,19H,3,9H2,1-2H3,(H,20,23)
InChIKeyGQBRXUNMTYDTLV-UHFFFAOYSA-N
XLogP2.15
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfamoyl)phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[4-(ethylsulfamoyl)phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 3244508) is N-[4-(ethylsulfamoyl)phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[4-(ethylsulfamoyl)phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[4-(ethylsulfamoyl)phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is CCNS(=O)(=O)c1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C)cc1.
What is the InChIKey of N-[4-(ethylsulfamoyl)phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is GQBRXUNMTYDTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O3S/c1-3-19-26(24,25)12-6-4-11(5-7-12)20-14(23)9-22-10(2)8-13(21-22)15(16,17)18/h4-8,19H,3,9H2,1-2H3,(H,20,23).
What are the key properties of N-[4-(ethylsulfamoyl)phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[4-(ethylsulfamoyl)phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 390.39 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfamoyl)phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 3244508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).