[(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethyl] N-(4-chlorophenyl)sulfonylcarbamate

C23H20Cl3N3O4S — CID 146293670

About [(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethyl] N-(4-chlorophenyl)sulfonylcarbamate

[(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethyl] N-(4-chlorophenyl)sulfonylcarbamate (PubChem CID 146293670) has the molecular formula C23H20Cl3N3O4S and a molecular weight of 540.86 g/mol. Its IUPAC name is [(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethyl] N-(4-chlorophenyl)sulfonylcarbamate.

Molecular Properties

• Compound Name: [(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethyl] N-(4-chlorophenyl)sulfonylcarbamate
• PubChem CID: 146293670
• Molecular Formula: C23H20Cl3N3O4S
• Molecular Weight: 540.86 g/mol
• Exact Mass: 539.02
• IUPAC Name: [(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethyl] N-(4-chlorophenyl)sulfonylcarbamate
• SMILES: O=C(NS(=O)(=O)c1ccc(Cl)cc1)OC/C=C1\CCCc2cnn(Cc3ccc(Cl)cc3Cl)c21
• InChI: InChI=1S/C23H20Cl3N3O4S/c24-18-6-8-20(9-7-18)34(31,32)28-23(30)33-11-10-15-2-1-3-16-13-27-29(22(15)16)14-17-4-5-19(25)12-21(17)26/h4-10,12-13H,1-3,11,14H2,(H,28,30)/b15-10+
• InChIKey: IHONPHNMMRLHGK-XNTDXEJSSA-N
• XLogP: 5.73
• TPSA: 90.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.86
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethyl] N-(4-chlorophenyl)sulfonylcarbamate?

The IUPAC name of [(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethyl] N-(4-chlorophenyl)sulfonylcarbamate (CID 146293670) is [(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethyl] N-(4-chlorophenyl)sulfonylcarbamate.

What is the SMILES notation for [(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethyl] N-(4-chlorophenyl)sulfonylcarbamate?

The canonical SMILES for [(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethyl] N-(4-chlorophenyl)sulfonylcarbamate is O=C(NS(=O)(=O)c1ccc(Cl)cc1)OC/C=C1\CCCc2cnn(Cc3ccc(Cl)cc3Cl)c21.

What is the InChIKey of [(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethyl] N-(4-chlorophenyl)sulfonylcarbamate?

The InChIKey is IHONPHNMMRLHGK-XNTDXEJSSA-N. The full InChI is InChI=1S/C23H20Cl3N3O4S/c24-18-6-8-20(9-7-18)34(31,32)28-23(30)33-11-10-15-2-1-3-16-13-27-29(22(15)16)14-17-4-5-19(25)12-21(17)26/h4-10,12-13H,1-3,11,14H2,(H,28,30)/b15-10+.

What are the key properties of [(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethyl] N-(4-chlorophenyl)sulfonylcarbamate?

[(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethyl] N-(4-chlorophenyl)sulfonylcarbamate has a molecular weight of 540.86 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethyl] N-(4-chlorophenyl)sulfonylcarbamate is sourced from PubChem (CID 146293670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).