N-(4-chlorophenyl)sulfonyl-4-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]sulfamoyl]benzamide

C32H28ClF3N4O8S2 — CID 10462803

About N-(4-chlorophenyl)sulfonyl-4-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]sulfamoyl]benzamide

N-(4-chlorophenyl)sulfonyl-4-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]sulfamoyl]benzamide (PubChem CID 10462803) has the molecular formula C32H28ClF3N4O8S2 and a molecular weight of 753.18 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-4-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]sulfamoyl]benzamide.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)sulfonyl-4-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]sulfamoyl]benzamide
• PubChem CID: 10462803
• Molecular Formula: C32H28ClF3N4O8S2
• Molecular Weight: 753.18 g/mol
• Exact Mass: 752.10
• IUPAC Name: N-(4-chlorophenyl)sulfonyl-4-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]sulfamoyl]benzamide
• SMILES: CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NS(=O)(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(Cl)cc3)cc2)c1=O)C(=O)C(F)(F)F
• InChI: InChI=1S/C32H28ClF3N4O8S2/c1-19(2)28(29(42)32(34,35)36)37-27(41)18-40-26(20-6-4-3-5-7-20)17-16-25(31(40)44)38-49(45,46)23-12-8-21(9-13-23)30(43)39-50(47,48)24-14-10-22(33)11-15-24/h3-17,19,28,38H,18H2,1-2H3,(H,37,41)(H,39,43)
• InChIKey: NMFDRQRJXZTJHY-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 177.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	753.18
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-4-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]sulfamoyl]benzamide?

The IUPAC name of N-(4-chlorophenyl)sulfonyl-4-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]sulfamoyl]benzamide (CID 10462803) is N-(4-chlorophenyl)sulfonyl-4-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]sulfamoyl]benzamide.

What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-4-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]sulfamoyl]benzamide?

The canonical SMILES for N-(4-chlorophenyl)sulfonyl-4-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]sulfamoyl]benzamide is CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NS(=O)(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(Cl)cc3)cc2)c1=O)C(=O)C(F)(F)F.

What is the InChIKey of N-(4-chlorophenyl)sulfonyl-4-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]sulfamoyl]benzamide?

The InChIKey is NMFDRQRJXZTJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28ClF3N4O8S2/c1-19(2)28(29(42)32(34,35)36)37-27(41)18-40-26(20-6-4-3-5-7-20)17-16-25(31(40)44)38-49(45,46)23-12-8-21(9-13-23)30(43)39-50(47,48)24-14-10-22(33)11-15-24/h3-17,19,28,38H,18H2,1-2H3,(H,37,41)(H,39,43).

What are the key properties of N-(4-chlorophenyl)sulfonyl-4-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]sulfamoyl]benzamide?

N-(4-chlorophenyl)sulfonyl-4-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]sulfamoyl]benzamide has a molecular weight of 753.18 g/mol, XLogP of 4.36, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)sulfonyl-4-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]sulfamoyl]benzamide is sourced from PubChem (CID 10462803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).