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

C25H19Cl3N2O4S — CID 46885650

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

(E)-N-(3-chlorophenyl)sulfonyl-3-[1-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-3H-indol-7-yl]prop-2-enamide (PubChem CID 46885650) has the molecular formula C25H19Cl3N2O4S and a molecular weight of 549.86 g/mol. Its IUPAC name is (E)-N-(3-chlorophenyl)sulfonyl-3-[1-[(2,4-dichlorophenyl)methyl]-3-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]-3-methyl-2-oxo-3H-indol-7-yl]prop-2-enamide
• PubChem CID: 46885650
• Molecular Formula: C25H19Cl3N2O4S
• Molecular Weight: 549.86 g/mol
• Exact Mass: 548.01
• IUPAC Name: (E)-N-(3-chlorophenyl)sulfonyl-3-[1-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-3H-indol-7-yl]prop-2-enamide
• SMILES: CC1C(=O)N(Cc2ccc(Cl)cc2Cl)c2c(/C=C/C(=O)NS(=O)(=O)c3cccc(Cl)c3)cccc21
• InChI: InChI=1S/C25H19Cl3N2O4S/c1-15-21-7-2-4-16(9-11-23(31)29-35(33,34)20-6-3-5-18(26)12-20)24(21)30(25(15)32)14-17-8-10-19(27)13-22(17)28/h2-13,15H,14H2,1H3,(H,29,31)/b11-9+
• InChIKey: RJHMXYMCSIQMML-PKNBQFBNSA-N
• XLogP: 5.82
• TPSA: 83.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.86
LogP ≤ 5	5.82
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]-3-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]-3-methyl-2-oxo-3H-indol-7-yl]prop-2-enamide (CID 46885650) is (E)-N-(3-chlorophenyl)sulfonyl-3-[1-[(2,4-dichlorophenyl)methyl]-3-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]-3-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]-3-methyl-2-oxo-3H-indol-7-yl]prop-2-enamide is CC1C(=O)N(Cc2ccc(Cl)cc2Cl)c2c(/C=C/C(=O)NS(=O)(=O)c3cccc(Cl)c3)cccc21.

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

The InChIKey is RJHMXYMCSIQMML-PKNBQFBNSA-N. The full InChI is InChI=1S/C25H19Cl3N2O4S/c1-15-21-7-2-4-16(9-11-23(31)29-35(33,34)20-6-3-5-18(26)12-20)24(21)30(25(15)32)14-17-8-10-19(27)13-22(17)28/h2-13,15H,14H2,1H3,(H,29,31)/b11-9+.

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

(E)-N-(3-chlorophenyl)sulfonyl-3-[1-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-3H-indol-7-yl]prop-2-enamide has a molecular weight of 549.86 g/mol, XLogP of 5.82, 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]-3-methyl-2-oxo-3H-indol-7-yl]prop-2-enamide is sourced from PubChem (CID 46885650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).