1-phenyl-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea

C22H19N5O3S — CID 155807292

IUPAC1-phenyl-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea
SMILESNS(=O)(=O)c1ccc(-n2ncc(NC(=O)Nc3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C22H19N5O3S/c23-31(29,30)19-13-11-18(12-14-19)27-21(16-7-3-1-4-8-16)20(15-24-27)26-22(28)25-17-9-5-2-6-10-17/h1-15H,(H2,23,29,30)(H2,25,26,28)
InChIKeyJOXKVYXJXOROKT-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.83
Rot. Bonds5

About 1-phenyl-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea

1-phenyl-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea (PubChem CID 155807292) has the molecular formula C22H19N5O3S and a molecular weight of 433.49 g/mol. Its IUPAC name is 1-phenyl-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-phenyl-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea
PubChem CID155807292
Molecular FormulaC22H19N5O3S
Molecular Weight433.49 g/mol
Exact Mass433.12
IUPAC Name1-phenyl-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea
SMILESNS(=O)(=O)c1ccc(-n2ncc(NC(=O)Nc3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C22H19N5O3S/c23-31(29,30)19-13-11-18(12-14-19)27-21(16-7-3-1-4-8-16)20(15-24-27)26-22(28)25-17-9-5-2-6-10-17/h1-15H,(H2,23,29,30)(H2,25,26,28)
InChIKeyJOXKVYXJXOROKT-UHFFFAOYSA-N
XLogP3.83
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea?
The IUPAC name of 1-phenyl-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea (CID 155807292) is 1-phenyl-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-phenyl-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea?
The canonical SMILES for 1-phenyl-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea is NS(=O)(=O)c1ccc(-n2ncc(NC(=O)Nc3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea?
The InChIKey is JOXKVYXJXOROKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3S/c23-31(29,30)19-13-11-18(12-14-19)27-21(16-7-3-1-4-8-16)20(15-24-27)26-22(28)25-17-9-5-2-6-10-17/h1-15H,(H2,23,29,30)(H2,25,26,28).
What are the key properties of 1-phenyl-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea?
1-phenyl-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea has a molecular weight of 433.49 g/mol, XLogP of 3.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea is sourced from PubChem (CID 155807292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).