2-phenyl-2-(4-sulfamoylphenyl)-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide

C18H15F3N4O3S — CID 67663252

IUPAC2-phenyl-2-(4-sulfamoylphenyl)-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide
SMILESNC(=O)C(c1ccccc1)(c1ccc(S(N)(=O)=O)cc1)c1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C18H15F3N4O3S/c19-18(20,21)15-10-14(24-25-15)17(16(22)26,11-4-2-1-3-5-11)12-6-8-13(9-7-12)29(23,27)28/h1-10H,(H2,22,26)(H,24,25)(H2,23,27,28)
InChIKeyPZZBWVYCTOGCMO-UHFFFAOYSA-N
MW424.40 g/mol
LogP1.90
Rot. Bonds5

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

2-phenyl-2-(4-sulfamoylphenyl)-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide (PubChem CID 67663252) has the molecular formula C18H15F3N4O3S and a molecular weight of 424.40 g/mol. Its IUPAC name is 2-phenyl-2-(4-sulfamoylphenyl)-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-phenyl-2-(4-sulfamoylphenyl)-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide
PubChem CID67663252
Molecular FormulaC18H15F3N4O3S
Molecular Weight424.40 g/mol
Exact Mass424.08
IUPAC Name2-phenyl-2-(4-sulfamoylphenyl)-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide
SMILESNC(=O)C(c1ccccc1)(c1ccc(S(N)(=O)=O)cc1)c1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C18H15F3N4O3S/c19-18(20,21)15-10-14(24-25-15)17(16(22)26,11-4-2-1-3-5-11)12-6-8-13(9-7-12)29(23,27)28/h1-10H,(H2,22,26)(H,24,25)(H2,23,27,28)
InChIKeyPZZBWVYCTOGCMO-UHFFFAOYSA-N
XLogP1.90
TPSA131.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(4-sulfamoylphenyl)-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide?
The IUPAC name of 2-phenyl-2-(4-sulfamoylphenyl)-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide (CID 67663252) is 2-phenyl-2-(4-sulfamoylphenyl)-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide.
What is the SMILES notation for 2-phenyl-2-(4-sulfamoylphenyl)-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide?
The canonical SMILES for 2-phenyl-2-(4-sulfamoylphenyl)-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide is NC(=O)C(c1ccccc1)(c1ccc(S(N)(=O)=O)cc1)c1cc(C(F)(F)F)n[nH]1.
What is the InChIKey of 2-phenyl-2-(4-sulfamoylphenyl)-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide?
The InChIKey is PZZBWVYCTOGCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O3S/c19-18(20,21)15-10-14(24-25-15)17(16(22)26,11-4-2-1-3-5-11)12-6-8-13(9-7-12)29(23,27)28/h1-10H,(H2,22,26)(H,24,25)(H2,23,27,28).
What are the key properties of 2-phenyl-2-(4-sulfamoylphenyl)-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide?
2-phenyl-2-(4-sulfamoylphenyl)-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide has a molecular weight of 424.40 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(4-sulfamoylphenyl)-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide is sourced from PubChem (CID 67663252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).