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

C23H24Cl2N4O5S — CID 24686742

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

3,4-dichloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 24686742) has the molecular formula C23H24Cl2N4O5S and a molecular weight of 539.44 g/mol. Its IUPAC name is 3,4-dichloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 3,4-dichloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
• PubChem CID: 24686742
• Molecular Formula: C23H24Cl2N4O5S
• Molecular Weight: 539.44 g/mol
• Exact Mass: 538.08
• IUPAC Name: 3,4-dichloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
• SMILES: Cc1c(NS(=O)(=O)c2cc(C(=O)NCC3CCCO3)cc(Cl)c2Cl)c(=O)n(-c2ccccc2)n1C
• InChI: InChI=1S/C23H24Cl2N4O5S/c1-14-21(23(31)29(28(14)2)16-7-4-3-5-8-16)27-35(32,33)19-12-15(11-18(24)20(19)25)22(30)26-13-17-9-6-10-34-17/h3-5,7-8,11-12,17,27H,6,9-10,13H2,1-2H3,(H,26,30)
• InChIKey: UPAGJRLZBSXYSZ-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 111.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.44
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3,4-dichloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide (CID 24686742) is 3,4-dichloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide.

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

The canonical SMILES for 3,4-dichloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide is Cc1c(NS(=O)(=O)c2cc(C(=O)NCC3CCCO3)cc(Cl)c2Cl)c(=O)n(-c2ccccc2)n1C.

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

The InChIKey is UPAGJRLZBSXYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N4O5S/c1-14-21(23(31)29(28(14)2)16-7-4-3-5-8-16)27-35(32,33)19-12-15(11-18(24)20(19)25)22(30)26-13-17-9-6-10-34-17/h3-5,7-8,11-12,17,27H,6,9-10,13H2,1-2H3,(H,26,30).

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

3,4-dichloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 539.44 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dichloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 24686742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).