4-benzoyl-1,5-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide

C33H24N6O4S — CID 45270449

IUPAC4-benzoyl-1,5-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1
InChIInChI=1S/C33H24N6O4S/c40-31(24-13-6-2-7-14-24)28-29(37-39(26-15-8-3-9-16-26)30(28)23-11-4-1-5-12-23)32(41)36-25-17-19-27(20-18-25)44(42,43)38-33-34-21-10-22-35-33/h1-22H,(H,36,41)(H,34,35,38)
InChIKeyUMSDOCDBTBVHSG-UHFFFAOYSA-N
MW600.66 g/mol
LogP5.61
Rot. Bonds9

About 4-benzoyl-1,5-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide

4-benzoyl-1,5-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide (PubChem CID 45270449) has the molecular formula C33H24N6O4S and a molecular weight of 600.66 g/mol. Its IUPAC name is 4-benzoyl-1,5-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-benzoyl-1,5-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide
PubChem CID45270449
Molecular FormulaC33H24N6O4S
Molecular Weight600.66 g/mol
Exact Mass600.16
IUPAC Name4-benzoyl-1,5-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1
InChIInChI=1S/C33H24N6O4S/c40-31(24-13-6-2-7-14-24)28-29(37-39(26-15-8-3-9-16-26)30(28)23-11-4-1-5-12-23)32(41)36-25-17-19-27(20-18-25)44(42,43)38-33-34-21-10-22-35-33/h1-22H,(H,36,41)(H,34,35,38)
InChIKeyUMSDOCDBTBVHSG-UHFFFAOYSA-N
XLogP5.61
TPSA135.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.66
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-1,5-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 4-benzoyl-1,5-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide (CID 45270449) is 4-benzoyl-1,5-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-benzoyl-1,5-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-benzoyl-1,5-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1.
What is the InChIKey of 4-benzoyl-1,5-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is UMSDOCDBTBVHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N6O4S/c40-31(24-13-6-2-7-14-24)28-29(37-39(26-15-8-3-9-16-26)30(28)23-11-4-1-5-12-23)32(41)36-25-17-19-27(20-18-25)44(42,43)38-33-34-21-10-22-35-33/h1-22H,(H,36,41)(H,34,35,38).
What are the key properties of 4-benzoyl-1,5-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide?
4-benzoyl-1,5-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 600.66 g/mol, XLogP of 5.61, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-1,5-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 45270449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).