(E)-N-(3-chlorophenyl)sulfonyl-3-[1-[(2,4-dichlorophenyl)methyl]-2-oxo-3H-indol-7-yl]prop-2-enamide

C24H17Cl3N2O4S — CID 46885343

About (E)-N-(3-chlorophenyl)sulfonyl-3-[1-[(2,4-dichlorophenyl)methyl]-2-oxo-3H-indol-7-yl]prop-2-enamide

(E)-N-(3-chlorophenyl)sulfonyl-3-[1-[(2,4-dichlorophenyl)methyl]-2-oxo-3H-indol-7-yl]prop-2-enamide (PubChem CID 46885343) has the molecular formula C24H17Cl3N2O4S and a molecular weight of 535.84 g/mol. Its IUPAC name is (E)-N-(3-chlorophenyl)sulfonyl-3-[1-[(2,4-dichlorophenyl)methyl]-2-oxo-3H-indol-7-yl]prop-2-enamide.

Molecular Properties

• Compound Name: (E)-N-(3-chlorophenyl)sulfonyl-3-[1-[(2,4-dichlorophenyl)methyl]-2-oxo-3H-indol-7-yl]prop-2-enamide
• PubChem CID: 46885343
• Molecular Formula: C24H17Cl3N2O4S
• Molecular Weight: 535.84 g/mol
• Exact Mass: 534.00
• IUPAC Name: (E)-N-(3-chlorophenyl)sulfonyl-3-[1-[(2,4-dichlorophenyl)methyl]-2-oxo-3H-indol-7-yl]prop-2-enamide
• SMILES: O=C(/C=C/c1cccc2c1N(Cc1ccc(Cl)cc1Cl)C(=O)C2)NS(=O)(=O)c1cccc(Cl)c1
• InChI: InChI=1S/C24H17Cl3N2O4S/c25-18-5-2-6-20(12-18)34(32,33)28-22(30)10-8-15-3-1-4-16-11-23(31)29(24(15)16)14-17-7-9-19(26)13-21(17)27/h1-10,12-13H,11,14H2,(H,28,30)/b10-8+
• InChIKey: OKEIGOKESHNEJW-CSKARUKUSA-N
• XLogP: 5.25
• TPSA: 83.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.84
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-chlorophenyl)sulfonyl-3-[1-[(2,4-dichlorophenyl)methyl]-2-oxo-3H-indol-7-yl]prop-2-enamide?

The IUPAC name of (E)-N-(3-chlorophenyl)sulfonyl-3-[1-[(2,4-dichlorophenyl)methyl]-2-oxo-3H-indol-7-yl]prop-2-enamide (CID 46885343) is (E)-N-(3-chlorophenyl)sulfonyl-3-[1-[(2,4-dichlorophenyl)methyl]-2-oxo-3H-indol-7-yl]prop-2-enamide.

What is the SMILES notation for (E)-N-(3-chlorophenyl)sulfonyl-3-[1-[(2,4-dichlorophenyl)methyl]-2-oxo-3H-indol-7-yl]prop-2-enamide?

The canonical SMILES for (E)-N-(3-chlorophenyl)sulfonyl-3-[1-[(2,4-dichlorophenyl)methyl]-2-oxo-3H-indol-7-yl]prop-2-enamide is O=C(/C=C/c1cccc2c1N(Cc1ccc(Cl)cc1Cl)C(=O)C2)NS(=O)(=O)c1cccc(Cl)c1.

What is the InChIKey of (E)-N-(3-chlorophenyl)sulfonyl-3-[1-[(2,4-dichlorophenyl)methyl]-2-oxo-3H-indol-7-yl]prop-2-enamide?

The InChIKey is OKEIGOKESHNEJW-CSKARUKUSA-N. The full InChI is InChI=1S/C24H17Cl3N2O4S/c25-18-5-2-6-20(12-18)34(32,33)28-22(30)10-8-15-3-1-4-16-11-23(31)29(24(15)16)14-17-7-9-19(26)13-21(17)27/h1-10,12-13H,11,14H2,(H,28,30)/b10-8+.

What are the key properties of (E)-N-(3-chlorophenyl)sulfonyl-3-[1-[(2,4-dichlorophenyl)methyl]-2-oxo-3H-indol-7-yl]prop-2-enamide?

(E)-N-(3-chlorophenyl)sulfonyl-3-[1-[(2,4-dichlorophenyl)methyl]-2-oxo-3H-indol-7-yl]prop-2-enamide has a molecular weight of 535.84 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-(3-chlorophenyl)sulfonyl-3-[1-[(2,4-dichlorophenyl)methyl]-2-oxo-3H-indol-7-yl]prop-2-enamide is sourced from PubChem (CID 46885343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).