N-(3-chloro-2-methylphenyl)-2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfonyl]acetamide

C25H22ClN3O5S2 — CID 20896132

About N-(3-chloro-2-methylphenyl)-2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfonyl]acetamide

N-(3-chloro-2-methylphenyl)-2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfonyl]acetamide (PubChem CID 20896132) has the molecular formula C25H22ClN3O5S2 and a molecular weight of 544.05 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfonyl]acetamide.

Molecular Properties

• Compound Name: N-(3-chloro-2-methylphenyl)-2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfonyl]acetamide
• PubChem CID: 20896132
• Molecular Formula: C25H22ClN3O5S2
• Molecular Weight: 544.05 g/mol
• Exact Mass: 543.07
• IUPAC Name: N-(3-chloro-2-methylphenyl)-2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfonyl]acetamide
• SMILES: Cc1ccc(S(=O)(=O)c2[nH]c(-c3ccccc3)nc2S(=O)(=O)CC(=O)Nc2cccc(Cl)c2C)cc1
• InChI: InChI=1S/C25H22ClN3O5S2/c1-16-11-13-19(14-12-16)36(33,34)25-24(28-23(29-25)18-7-4-3-5-8-18)35(31,32)15-22(30)27-21-10-6-9-20(26)17(21)2/h3-14H,15H2,1-2H3,(H,27,30)(H,28,29)
• InChIKey: FBNHUZWGMAKQSY-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 126.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.05
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfonyl]acetamide?

The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfonyl]acetamide (CID 20896132) is N-(3-chloro-2-methylphenyl)-2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfonyl]acetamide.

What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfonyl]acetamide?

The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfonyl]acetamide is Cc1ccc(S(=O)(=O)c2[nH]c(-c3ccccc3)nc2S(=O)(=O)CC(=O)Nc2cccc(Cl)c2C)cc1.

What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfonyl]acetamide?

The InChIKey is FBNHUZWGMAKQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O5S2/c1-16-11-13-19(14-12-16)36(33,34)25-24(28-23(29-25)18-7-4-3-5-8-18)35(31,32)15-22(30)27-21-10-6-9-20(26)17(21)2/h3-14H,15H2,1-2H3,(H,27,30)(H,28,29).

What are the key properties of N-(3-chloro-2-methylphenyl)-2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfonyl]acetamide?

N-(3-chloro-2-methylphenyl)-2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfonyl]acetamide has a molecular weight of 544.05 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-2-methylphenyl)-2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfonyl]acetamide is sourced from PubChem (CID 20896132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).