N-[2-(2-chlorophenyl)-2-(ethylsulfonylamino)ethyl]-2-[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-1-yl]acetamide

C23H24Cl2F3N5O5S — CID 77156514

About N-[2-(2-chlorophenyl)-2-(ethylsulfonylamino)ethyl]-2-[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-1-yl]acetamide

N-[2-(2-chlorophenyl)-2-(ethylsulfonylamino)ethyl]-2-[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-1-yl]acetamide (PubChem CID 77156514) has the molecular formula C23H24Cl2F3N5O5S and a molecular weight of 610.44 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(ethylsulfonylamino)ethyl]-2-[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-(2-chlorophenyl)-2-(ethylsulfonylamino)ethyl]-2-[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-1-yl]acetamide
• PubChem CID: 77156514
• Molecular Formula: C23H24Cl2F3N5O5S
• Molecular Weight: 610.44 g/mol
• Exact Mass: 609.08
• IUPAC Name: N-[2-(2-chlorophenyl)-2-(ethylsulfonylamino)ethyl]-2-[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-1-yl]acetamide
• SMILES: CCS(=O)(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(CC(O)C(F)(F)F)c1=O)c1ccccc1Cl
• InChI: InChI=1S/C23H24Cl2F3N5O5S/c1-2-39(37,38)31-18(16-5-3-4-6-17(16)25)11-29-20(35)13-33-22(36)32(12-19(34)23(26,27)28)21(30-33)14-7-9-15(24)10-8-14/h3-10,18-19,31,34H,2,11-13H2,1H3,(H,29,35)
• InChIKey: UKGJJKJWFZUPBU-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 135.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	610.44
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(ethylsulfonylamino)ethyl]-2-[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-1-yl]acetamide?

The IUPAC name of N-[2-(2-chlorophenyl)-2-(ethylsulfonylamino)ethyl]-2-[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-1-yl]acetamide (CID 77156514) is N-[2-(2-chlorophenyl)-2-(ethylsulfonylamino)ethyl]-2-[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-1-yl]acetamide.

What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(ethylsulfonylamino)ethyl]-2-[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-1-yl]acetamide?

The canonical SMILES for N-[2-(2-chlorophenyl)-2-(ethylsulfonylamino)ethyl]-2-[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-1-yl]acetamide is CCS(=O)(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(CC(O)C(F)(F)F)c1=O)c1ccccc1Cl.

What is the InChIKey of N-[2-(2-chlorophenyl)-2-(ethylsulfonylamino)ethyl]-2-[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-1-yl]acetamide?

The InChIKey is UKGJJKJWFZUPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2F3N5O5S/c1-2-39(37,38)31-18(16-5-3-4-6-17(16)25)11-29-20(35)13-33-22(36)32(12-19(34)23(26,27)28)21(30-33)14-7-9-15(24)10-8-14/h3-10,18-19,31,34H,2,11-13H2,1H3,(H,29,35).

What are the key properties of N-[2-(2-chlorophenyl)-2-(ethylsulfonylamino)ethyl]-2-[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-1-yl]acetamide?

N-[2-(2-chlorophenyl)-2-(ethylsulfonylamino)ethyl]-2-[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-1-yl]acetamide has a molecular weight of 610.44 g/mol, XLogP of 2.74, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-chlorophenyl)-2-(ethylsulfonylamino)ethyl]-2-[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-1-yl]acetamide is sourced from PubChem (CID 77156514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).