N-[1-[2-(2-chlorophenyl)-5-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-3-yl]-2-hydroxyethyl]methanesulfonamide

C23H22Cl2F3N7O5S — CID 142564164

About N-[1-[2-(2-chlorophenyl)-5-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-3-yl]-2-hydroxyethyl]methanesulfonamide

N-[1-[2-(2-chlorophenyl)-5-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-3-yl]-2-hydroxyethyl]methanesulfonamide (PubChem CID 142564164) has the molecular formula C23H22Cl2F3N7O5S and a molecular weight of 636.44 g/mol. Its IUPAC name is N-[1-[2-(2-chlorophenyl)-5-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-3-yl]-2-hydroxyethyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[1-[2-(2-chlorophenyl)-5-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-3-yl]-2-hydroxyethyl]methanesulfonamide
• PubChem CID: 142564164
• Molecular Formula: C23H22Cl2F3N7O5S
• Molecular Weight: 636.44 g/mol
• Exact Mass: 635.07
• IUPAC Name: N-[1-[2-(2-chlorophenyl)-5-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-3-yl]-2-hydroxyethyl]methanesulfonamide
• SMILES: CS(=O)(=O)NC(CO)c1nc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nn1-c1ccccc1Cl
• InChI: InChI=1S/C23H22Cl2F3N7O5S/c1-41(39,40)32-16(12-36)21-29-19(30-35(21)17-5-3-2-4-15(17)25)11-34-22(38)33(10-18(37)23(26,27)28)20(31-34)13-6-8-14(24)9-7-13/h2-9,16,18,32,36-37H,10-12H2,1H3/t16?,18-/m0/s1
• InChIKey: GIHCULYHLQNOPN-DAFXYXGESA-N
• XLogP: 2.15
• TPSA: 157.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.44
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-chlorophenyl)-5-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-3-yl]-2-hydroxyethyl]methanesulfonamide?

The IUPAC name of N-[1-[2-(2-chlorophenyl)-5-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-3-yl]-2-hydroxyethyl]methanesulfonamide (CID 142564164) is N-[1-[2-(2-chlorophenyl)-5-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-3-yl]-2-hydroxyethyl]methanesulfonamide.

What is the SMILES notation for N-[1-[2-(2-chlorophenyl)-5-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-3-yl]-2-hydroxyethyl]methanesulfonamide?

The canonical SMILES for N-[1-[2-(2-chlorophenyl)-5-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-3-yl]-2-hydroxyethyl]methanesulfonamide is CS(=O)(=O)NC(CO)c1nc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nn1-c1ccccc1Cl.

What is the InChIKey of N-[1-[2-(2-chlorophenyl)-5-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-3-yl]-2-hydroxyethyl]methanesulfonamide?

The InChIKey is GIHCULYHLQNOPN-DAFXYXGESA-N. The full InChI is InChI=1S/C23H22Cl2F3N7O5S/c1-41(39,40)32-16(12-36)21-29-19(30-35(21)17-5-3-2-4-15(17)25)11-34-22(38)33(10-18(37)23(26,27)28)20(31-34)13-6-8-14(24)9-7-13/h2-9,16,18,32,36-37H,10-12H2,1H3/t16?,18-/m0/s1.

What are the key properties of N-[1-[2-(2-chlorophenyl)-5-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-3-yl]-2-hydroxyethyl]methanesulfonamide?

N-[1-[2-(2-chlorophenyl)-5-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-3-yl]-2-hydroxyethyl]methanesulfonamide has a molecular weight of 636.44 g/mol, XLogP of 2.15, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-(2-chlorophenyl)-5-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-3-yl]-2-hydroxyethyl]methanesulfonamide is sourced from PubChem (CID 142564164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).