5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]piperidin-1-yl]sulfonylamino]benzamide

C37H39Cl2F3N8O6S — CID 167091133

About 5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]piperidin-1-yl]sulfonylamino]benzamide

5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]piperidin-1-yl]sulfonylamino]benzamide (PubChem CID 167091133) has the molecular formula C37H39Cl2F3N8O6S and a molecular weight of 851.74 g/mol. Its IUPAC name is 5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]piperidin-1-yl]sulfonylamino]benzamide.

Molecular Properties

• Compound Name: 5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]piperidin-1-yl]sulfonylamino]benzamide
• PubChem CID: 167091133
• Molecular Formula: C37H39Cl2F3N8O6S
• Molecular Weight: 851.74 g/mol
• Exact Mass: 850.20
• IUPAC Name: 5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]piperidin-1-yl]sulfonylamino]benzamide
• SMILES: Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(N3CCN(CC4CCN(S(=O)(=O)Nc5ccc(Cl)cc5C(=O)Nc5ccc(C(F)(F)F)cc5Cl)CC4)CC3)c21
• InChI: InChI=1S/C37H39Cl2F3N8O6S/c1-46-33-29(3-2-4-30(33)50(36(46)54)31-9-10-32(51)44-35(31)53)48-17-15-47(16-18-48)21-22-11-13-49(14-12-22)57(55,56)45-27-8-6-24(38)20-25(27)34(52)43-28-7-5-23(19-26(28)39)37(40,41)42/h2-8,19-20,22,31,45H,9-18,21H2,1H3,(H,43,52)(H,44,51,53)
• InChIKey: VTRWHDBACKQAPY-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 158.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	851.74
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]piperidin-1-yl]sulfonylamino]benzamide?

The IUPAC name of 5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]piperidin-1-yl]sulfonylamino]benzamide (CID 167091133) is 5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]piperidin-1-yl]sulfonylamino]benzamide.

What is the SMILES notation for 5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]piperidin-1-yl]sulfonylamino]benzamide?

The canonical SMILES for 5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]piperidin-1-yl]sulfonylamino]benzamide is Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(N3CCN(CC4CCN(S(=O)(=O)Nc5ccc(Cl)cc5C(=O)Nc5ccc(C(F)(F)F)cc5Cl)CC4)CC3)c21.

What is the InChIKey of 5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]piperidin-1-yl]sulfonylamino]benzamide?

The InChIKey is VTRWHDBACKQAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39Cl2F3N8O6S/c1-46-33-29(3-2-4-30(33)50(36(46)54)31-9-10-32(51)44-35(31)53)48-17-15-47(16-18-48)21-22-11-13-49(14-12-22)57(55,56)45-27-8-6-24(38)20-25(27)34(52)43-28-7-5-23(19-26(28)39)37(40,41)42/h2-8,19-20,22,31,45H,9-18,21H2,1H3,(H,43,52)(H,44,51,53).

What are the key properties of 5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]piperidin-1-yl]sulfonylamino]benzamide?

5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]piperidin-1-yl]sulfonylamino]benzamide has a molecular weight of 851.74 g/mol, XLogP of 5.09, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]piperidin-1-yl]sulfonylamino]benzamide is sourced from PubChem (CID 167091133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).