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

C24H21Cl2N5O4S — CID 24980353

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

3,4-dichloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 24980353) has the molecular formula C24H21Cl2N5O4S and a molecular weight of 546.44 g/mol. Its IUPAC name is 3,4-dichloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 3,4-dichloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
• PubChem CID: 24980353
• Molecular Formula: C24H21Cl2N5O4S
• Molecular Weight: 546.44 g/mol
• Exact Mass: 545.07
• IUPAC Name: 3,4-dichloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
• SMILES: Cc1c(NS(=O)(=O)c2cc(C(=O)NCc3cccnc3)cc(Cl)c2Cl)c(=O)n(-c2ccccc2)n1C
• InChI: InChI=1S/C24H21Cl2N5O4S/c1-15-22(24(33)31(30(15)2)18-8-4-3-5-9-18)29-36(34,35)20-12-17(11-19(25)21(20)26)23(32)28-14-16-7-6-10-27-13-16/h3-13,29H,14H2,1-2H3,(H,28,32)
• InChIKey: ADFZCEFZNPEPIN-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 115.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.44
LogP ≤ 5	3.92
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-(pyridin-3-ylmethyl)benzamide?

The IUPAC name of 3,4-dichloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide (CID 24980353) is 3,4-dichloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide.

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

The canonical SMILES for 3,4-dichloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide is Cc1c(NS(=O)(=O)c2cc(C(=O)NCc3cccnc3)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-(pyridin-3-ylmethyl)benzamide?

The InChIKey is ADFZCEFZNPEPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N5O4S/c1-15-22(24(33)31(30(15)2)18-8-4-3-5-9-18)29-36(34,35)20-12-17(11-19(25)21(20)26)23(32)28-14-16-7-6-10-27-13-16/h3-13,29H,14H2,1-2H3,(H,28,32).

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

3,4-dichloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 546.44 g/mol, XLogP of 3.92, 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-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 24980353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).