2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide

C24H22ClF3N2O3S — CID 28546584

About 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide

2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 28546584) has the molecular formula C24H22ClF3N2O3S and a molecular weight of 510.97 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
• PubChem CID: 28546584
• Molecular Formula: C24H22ClF3N2O3S
• Molecular Weight: 510.97 g/mol
• Exact Mass: 510.10
• IUPAC Name: 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
• SMILES: Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)Cc2ccc(Cl)cc2)c(C)c1
• InChI: InChI=1S/C24H22ClF3N2O3S/c1-14-10-15(2)24(16(3)11-14)34(32,33)30(12-17-4-6-18(25)7-5-17)13-21(31)29-20-9-8-19(26)22(27)23(20)28/h4-11H,12-13H2,1-3H3,(H,29,31)
• InChIKey: ONYRKOOTNJVKHK-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.97
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide?

The IUPAC name of 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide (CID 28546584) is 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide.

What is the SMILES notation for 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide?

The canonical SMILES for 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide is Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)Cc2ccc(Cl)cc2)c(C)c1.

What is the InChIKey of 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide?

The InChIKey is ONYRKOOTNJVKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF3N2O3S/c1-14-10-15(2)24(16(3)11-14)34(32,33)30(12-17-4-6-18(25)7-5-17)13-21(31)29-20-9-8-19(26)22(27)23(20)28/h4-11H,12-13H2,1-3H3,(H,29,31).

What are the key properties of 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide?

2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 510.97 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 28546584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).