1-(3-chlorophenyl)-4-methylpiperazine;N-cyclohexyl-4-[[4-(3-hydroxypiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylbenzenesulfonamide;piperidine-2,6-dione

C39H52ClF3N8O5S — CID 170952494

About 1-(3-chlorophenyl)-4-methylpiperazine;N-cyclohexyl-4-[[4-(3-hydroxypiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylbenzenesulfonamide;piperidine-2,6-dione

1-(3-chlorophenyl)-4-methylpiperazine;N-cyclohexyl-4-[[4-(3-hydroxypiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylbenzenesulfonamide;piperidine-2,6-dione (PubChem CID 170952494) has the molecular formula C39H52ClF3N8O5S and a molecular weight of 837.41 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-methylpiperazine;N-cyclohexyl-4-[[4-(3-hydroxypiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylbenzenesulfonamide;piperidine-2,6-dione.

Molecular Properties

• Compound Name: 1-(3-chlorophenyl)-4-methylpiperazine;N-cyclohexyl-4-[[4-(3-hydroxypiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylbenzenesulfonamide;piperidine-2,6-dione
• PubChem CID: 170952494
• Molecular Formula: C39H52ClF3N8O5S
• Molecular Weight: 837.41 g/mol
• Exact Mass: 836.34
• IUPAC Name: 1-(3-chlorophenyl)-4-methylpiperazine;N-cyclohexyl-4-[[4-(3-hydroxypiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylbenzenesulfonamide;piperidine-2,6-dione
• SMILES: CN1CCN(c2cccc(Cl)c2)CC1.Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1Nc1ncc(C(F)(F)F)c(N2CCCC(O)C2)n1.O=C1CCCC(=O)N1
• InChI: InChI=1S/C23H30F3N5O3S.C11H15ClN2.C5H7NO2/c1-15-12-18(35(33,34)30-16-6-3-2-4-7-16)9-10-20(15)28-22-27-13-19(23(24,25)26)21(29-22)31-11-5-8-17(32)14-31;1-13-5-7-14(8-6-13)11-4-2-3-10(12)9-11;7-4-2-1-3-5(8)6-4/h9-10,12-13,16-17,30,32H,2-8,11,14H2,1H3,(H,27,28,29);2-4,9H,5-8H2,1H3;1-3H2,(H,6,7,8)
• InChIKey: DNXWWPGWSFQJCV-UHFFFAOYSA-N
• XLogP: 6.02
• TPSA: 160.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	837.41
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-methylpiperazine;N-cyclohexyl-4-[[4-(3-hydroxypiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylbenzenesulfonamide;piperidine-2,6-dione?

The IUPAC name of 1-(3-chlorophenyl)-4-methylpiperazine;N-cyclohexyl-4-[[4-(3-hydroxypiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylbenzenesulfonamide;piperidine-2,6-dione (CID 170952494) is 1-(3-chlorophenyl)-4-methylpiperazine;N-cyclohexyl-4-[[4-(3-hydroxypiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylbenzenesulfonamide;piperidine-2,6-dione.

What is the SMILES notation for 1-(3-chlorophenyl)-4-methylpiperazine;N-cyclohexyl-4-[[4-(3-hydroxypiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylbenzenesulfonamide;piperidine-2,6-dione?

The canonical SMILES for 1-(3-chlorophenyl)-4-methylpiperazine;N-cyclohexyl-4-[[4-(3-hydroxypiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylbenzenesulfonamide;piperidine-2,6-dione is CN1CCN(c2cccc(Cl)c2)CC1.Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1Nc1ncc(C(F)(F)F)c(N2CCCC(O)C2)n1.O=C1CCCC(=O)N1.

What is the InChIKey of 1-(3-chlorophenyl)-4-methylpiperazine;N-cyclohexyl-4-[[4-(3-hydroxypiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylbenzenesulfonamide;piperidine-2,6-dione?

The InChIKey is DNXWWPGWSFQJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F3N5O3S.C11H15ClN2.C5H7NO2/c1-15-12-18(35(33,34)30-16-6-3-2-4-7-16)9-10-20(15)28-22-27-13-19(23(24,25)26)21(29-22)31-11-5-8-17(32)14-31;1-13-5-7-14(8-6-13)11-4-2-3-10(12)9-11;7-4-2-1-3-5(8)6-4/h9-10,12-13,16-17,30,32H,2-8,11,14H2,1H3,(H,27,28,29);2-4,9H,5-8H2,1H3;1-3H2,(H,6,7,8).

What are the key properties of 1-(3-chlorophenyl)-4-methylpiperazine;N-cyclohexyl-4-[[4-(3-hydroxypiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylbenzenesulfonamide;piperidine-2,6-dione?

1-(3-chlorophenyl)-4-methylpiperazine;N-cyclohexyl-4-[[4-(3-hydroxypiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylbenzenesulfonamide;piperidine-2,6-dione has a molecular weight of 837.41 g/mol, XLogP of 6.02, 7 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chlorophenyl)-4-methylpiperazine;N-cyclohexyl-4-[[4-(3-hydroxypiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylbenzenesulfonamide;piperidine-2,6-dione is sourced from PubChem (CID 170952494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).