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

C24H23N5O4S — CID 24687384

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

4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide (PubChem CID 24687384) has the molecular formula C24H23N5O4S and a molecular weight of 477.55 g/mol. Its IUPAC name is 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide.

Molecular Properties

• Compound Name: 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide
• PubChem CID: 24687384
• Molecular Formula: C24H23N5O4S
• Molecular Weight: 477.55 g/mol
• Exact Mass: 477.15
• IUPAC Name: 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide
• SMILES: Cc1cccnc1NC(=O)c1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1
• InChI: InChI=1S/C24H23N5O4S/c1-16-8-7-15-25-22(16)26-23(30)18-11-13-20(14-12-18)34(32,33)27-21-17(2)28(3)29(24(21)31)19-9-5-4-6-10-19/h4-15,27H,1-3H3,(H,25,26,30)
• InChIKey: LAXSSAFJVZTWFZ-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 115.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.55
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide?

The IUPAC name of 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide (CID 24687384) is 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide.

What is the SMILES notation for 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide?

The canonical SMILES for 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide is Cc1cccnc1NC(=O)c1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1.

What is the InChIKey of 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide?

The InChIKey is LAXSSAFJVZTWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4S/c1-16-8-7-15-25-22(16)26-23(30)18-11-13-20(14-12-18)34(32,33)27-21-17(2)28(3)29(24(21)31)19-9-5-4-6-10-19/h4-15,27H,1-3H3,(H,25,26,30).

What are the key properties of 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide?

4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide has a molecular weight of 477.55 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 24687384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).