2-[5-(4-fluorophenyl)-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide

C23H19FN4O3S — CID 86766215

IUPAC2-[5-(4-fluorophenyl)-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)Cn2nc(-c3ccccc3)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H19FN4O3S/c24-18-8-6-17(7-9-18)22-14-21(16-4-2-1-3-5-16)27-28(22)15-23(29)26-19-10-12-20(13-11-19)32(25,30)31/h1-14H,15H2,(H,26,29)(H2,25,30,31)
InChIKeyRLKQSVPJMFNUTQ-UHFFFAOYSA-N
MW450.50 g/mol
LogP3.64
Rot. Bonds6

About 2-[5-(4-fluorophenyl)-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide

2-[5-(4-fluorophenyl)-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 86766215) has the molecular formula C23H19FN4O3S and a molecular weight of 450.50 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide
PubChem CID86766215
Molecular FormulaC23H19FN4O3S
Molecular Weight450.50 g/mol
Exact Mass450.12
IUPAC Name2-[5-(4-fluorophenyl)-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)Cn2nc(-c3ccccc3)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H19FN4O3S/c24-18-8-6-17(7-9-18)22-14-21(16-4-2-1-3-5-16)27-28(22)15-23(29)26-19-10-12-20(13-11-19)32(25,30)31/h1-14H,15H2,(H,26,29)(H2,25,30,31)
InChIKeyRLKQSVPJMFNUTQ-UHFFFAOYSA-N
XLogP3.64
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide (CID 86766215) is 2-[5-(4-fluorophenyl)-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(NC(=O)Cn2nc(-c3ccccc3)cc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is RLKQSVPJMFNUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O3S/c24-18-8-6-17(7-9-18)22-14-21(16-4-2-1-3-5-16)27-28(22)15-23(29)26-19-10-12-20(13-11-19)32(25,30)31/h1-14H,15H2,(H,26,29)(H2,25,30,31).
What are the key properties of 2-[5-(4-fluorophenyl)-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide?
2-[5-(4-fluorophenyl)-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 450.50 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 86766215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).