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

C26H20F6N4O4S — CID 2334156

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

N-[2,5-bis(trifluoromethyl)phenyl]-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzamide (PubChem CID 2334156) has the molecular formula C26H20F6N4O4S and a molecular weight of 598.53 g/mol. Its IUPAC name is N-[2,5-bis(trifluoromethyl)phenyl]-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzamide.

Molecular Properties

• Compound Name: N-[2,5-bis(trifluoromethyl)phenyl]-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzamide
• PubChem CID: 2334156
• Molecular Formula: C26H20F6N4O4S
• Molecular Weight: 598.53 g/mol
• Exact Mass: 598.11
• IUPAC Name: N-[2,5-bis(trifluoromethyl)phenyl]-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzamide
• SMILES: Cc1c(NS(=O)(=O)c2cccc(C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)c2)c(=O)n(-c2ccccc2)n1C
• InChI: InChI=1S/C26H20F6N4O4S/c1-15-22(24(38)36(35(15)2)18-8-4-3-5-9-18)34-41(39,40)19-10-6-7-16(13-19)23(37)33-21-14-17(25(27,28)29)11-12-20(21)26(30,31)32/h3-14,34H,1-2H3,(H,33,37)
• InChIKey: WKUYTLXEUYCRRG-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 102.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	598.53
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[2,5-bis(trifluoromethyl)phenyl]-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzamide (CID 2334156) is N-[2,5-bis(trifluoromethyl)phenyl]-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzamide.

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

The canonical SMILES for N-[2,5-bis(trifluoromethyl)phenyl]-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzamide is Cc1c(NS(=O)(=O)c2cccc(C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)c2)c(=O)n(-c2ccccc2)n1C.

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

The InChIKey is WKUYTLXEUYCRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F6N4O4S/c1-15-22(24(38)36(35(15)2)18-8-4-3-5-9-18)34-41(39,40)19-10-6-7-16(13-19)23(37)33-21-14-17(25(27,28)29)11-12-20(21)26(30,31)32/h3-14,34H,1-2H3,(H,33,37).

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

N-[2,5-bis(trifluoromethyl)phenyl]-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzamide has a molecular weight of 598.53 g/mol, XLogP of 5.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,5-bis(trifluoromethyl)phenyl]-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzamide is sourced from PubChem (CID 2334156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).