1-acetyl-N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]benzotriazole-5-carboxamide;N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]-2H-benzotriazole-5-carboxamide;[2-[2-(2,4-dimethylphenoxy)butanoylamino]phenyl] thiohypochlorite

C64H48Cl9N15O7S — CID 135960438

About 1-acetyl-N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]benzotriazole-5-carboxamide;N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]-2H-benzotriazole-5-carboxamide;[2-[2-(2,4-dimethylphenoxy)butanoylamino]phenyl] thiohypochlorite

1-acetyl-N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]benzotriazole-5-carboxamide;N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]-2H-benzotriazole-5-carboxamide;[2-[2-(2,4-dimethylphenoxy)butanoylamino]phenyl] thiohypochlorite (PubChem CID 135960438) has the molecular formula C64H48Cl9N15O7S and a molecular weight of 1490.33 g/mol. Its IUPAC name is 1-acetyl-N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]benzotriazole-5-carboxamide;N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]-2H-benzotriazole-5-carboxamide;[2-[2-(2,4-dimethylphenoxy)butanoylamino]phenyl] thiohypochlorite.

Molecular Properties

• Compound Name: 1-acetyl-N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]benzotriazole-5-carboxamide;N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]-2H-benzotriazole-5-carboxamide;[2-[2-(2,4-dimethylphenoxy)butanoylamino]phenyl] thiohypochlorite
• PubChem CID: 135960438
• Molecular Formula: C64H48Cl9N15O7S
• Molecular Weight: 1490.33 g/mol
• Exact Mass: 1485.08
• IUPAC Name: 1-acetyl-N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]benzotriazole-5-carboxamide;N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]-2H-benzotriazole-5-carboxamide;[2-[2-(2,4-dimethylphenoxy)butanoylamino]phenyl] thiohypochlorite
• SMILES: CC(=O)n1nnc2cc(C(=O)Nc3ccc(Cl)c(/N=C4\CC(=O)N(c5c(Cl)cc(Cl)cc5Cl)N4)c3)ccc21.CCC(Oc1ccc(C)cc1C)C(=O)Nc1ccccc1SCl.O=C(Nc1ccc(Cl)c(/N=C2\CC(=O)N(c3c(Cl)cc(Cl)cc3Cl)N2)c1)c1ccc2n[nH]nc2c1
• InChI: InChI=1S/C24H15Cl4N7O3.C22H13Cl4N7O2.C18H20ClNO2S/c1-11(36)34-20-5-2-12(6-19(20)31-33-34)24(38)29-14-3-4-15(26)18(9-14)30-21-10-22(37)35(32-21)23-16(27)7-13(25)8-17(23)28;23-11-6-14(25)21(15(26)7-11)33-20(34)9-19(31-33)28-17-8-12(2-3-13(17)24)27-22(35)10-1-4-16-18(5-10)30-32-29-16;1-4-15(22-16-10-9-12(2)11-13(16)3)18(21)20-14-7-5-6-8-17(14)23-19/h2-9H,10H2,1H3,(H,29,38)(H,30,32);1-8H,9H2,(H,27,35)(H,28,31)(H,29,30,32);5-11,15H,4H2,1-3H3,(H,20,21)
• InChIKey: MFJKRUZWGUMRIY-UHFFFAOYSA-N
• XLogP: 17.07
• TPSA: 275.28 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1490.33
LogP ≤ 5	17.07
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]benzotriazole-5-carboxamide;N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]-2H-benzotriazole-5-carboxamide;[2-[2-(2,4-dimethylphenoxy)butanoylamino]phenyl] thiohypochlorite?

The IUPAC name of 1-acetyl-N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]benzotriazole-5-carboxamide;N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]-2H-benzotriazole-5-carboxamide;[2-[2-(2,4-dimethylphenoxy)butanoylamino]phenyl] thiohypochlorite (CID 135960438) is 1-acetyl-N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]benzotriazole-5-carboxamide;N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]-2H-benzotriazole-5-carboxamide;[2-[2-(2,4-dimethylphenoxy)butanoylamino]phenyl] thiohypochlorite.

What is the SMILES notation for 1-acetyl-N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]benzotriazole-5-carboxamide;N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]-2H-benzotriazole-5-carboxamide;[2-[2-(2,4-dimethylphenoxy)butanoylamino]phenyl] thiohypochlorite?

The canonical SMILES for 1-acetyl-N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]benzotriazole-5-carboxamide;N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]-2H-benzotriazole-5-carboxamide;[2-[2-(2,4-dimethylphenoxy)butanoylamino]phenyl] thiohypochlorite is CC(=O)n1nnc2cc(C(=O)Nc3ccc(Cl)c(/N=C4\CC(=O)N(c5c(Cl)cc(Cl)cc5Cl)N4)c3)ccc21.CCC(Oc1ccc(C)cc1C)C(=O)Nc1ccccc1SCl.O=C(Nc1ccc(Cl)c(/N=C2\CC(=O)N(c3c(Cl)cc(Cl)cc3Cl)N2)c1)c1ccc2n[nH]nc2c1.

What is the InChIKey of 1-acetyl-N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]benzotriazole-5-carboxamide;N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]-2H-benzotriazole-5-carboxamide;[2-[2-(2,4-dimethylphenoxy)butanoylamino]phenyl] thiohypochlorite?

The InChIKey is MFJKRUZWGUMRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl4N7O3.C22H13Cl4N7O2.C18H20ClNO2S/c1-11(36)34-20-5-2-12(6-19(20)31-33-34)24(38)29-14-3-4-15(26)18(9-14)30-21-10-22(37)35(32-21)23-16(27)7-13(25)8-17(23)28;23-11-6-14(25)21(15(26)7-11)33-20(34)9-19(31-33)28-17-8-12(2-3-13(17)24)27-22(35)10-1-4-16-18(5-10)30-32-29-16;1-4-15(22-16-10-9-12(2)11-13(16)3)18(21)20-14-7-5-6-8-17(14)23-19/h2-9H,10H2,1H3,(H,29,38)(H,30,32);1-8H,9H2,(H,27,35)(H,28,31)(H,29,30,32);5-11,15H,4H2,1-3H3,(H,20,21).

What are the key properties of 1-acetyl-N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]benzotriazole-5-carboxamide;N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]-2H-benzotriazole-5-carboxamide;[2-[2-(2,4-dimethylphenoxy)butanoylamino]phenyl] thiohypochlorite?

1-acetyl-N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]benzotriazole-5-carboxamide;N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]-2H-benzotriazole-5-carboxamide;[2-[2-(2,4-dimethylphenoxy)butanoylamino]phenyl] thiohypochlorite has a molecular weight of 1490.33 g/mol, XLogP of 17.07, 14 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-acetyl-N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]benzotriazole-5-carboxamide;N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]-2H-benzotriazole-5-carboxamide;[2-[2-(2,4-dimethylphenoxy)butanoylamino]phenyl] thiohypochlorite is sourced from PubChem (CID 135960438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).