N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide

C25H24N4O5S — CID 2340937

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2)cc1
InChIInChI=1S/C25H24N4O5S/c1-17-23(25(31)29(28(17)2)20-7-5-4-6-8-20)26-24(30)18-9-15-22(16-10-18)35(32,33)27-19-11-13-21(34-3)14-12-19/h4-16,27H,1-3H3,(H,26,30)
InChIKeyIORFHZPPLPJWFO-UHFFFAOYSA-N
MW492.56 g/mol
LogP3.55
Rot. Bonds7

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 2340937) has the molecular formula C25H24N4O5S and a molecular weight of 492.56 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
PubChem CID2340937
Molecular FormulaC25H24N4O5S
Molecular Weight492.56 g/mol
Exact Mass492.15
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2)cc1
InChIInChI=1S/C25H24N4O5S/c1-17-23(25(31)29(28(17)2)20-7-5-4-6-8-20)26-24(30)18-9-15-22(16-10-18)35(32,33)27-19-11-13-21(34-3)14-12-19/h4-16,27H,1-3H3,(H,26,30)
InChIKeyIORFHZPPLPJWFO-UHFFFAOYSA-N
XLogP3.55
TPSA111.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide (CID 2340937) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide is COc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2)cc1.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is IORFHZPPLPJWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5S/c1-17-23(25(31)29(28(17)2)20-7-5-4-6-8-20)26-24(30)18-9-15-22(16-10-18)35(32,33)27-19-11-13-21(34-3)14-12-19/h4-16,27H,1-3H3,(H,26,30).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 492.56 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 2340937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).