N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide

C21H16BrCl3N2O3S — CID 126079248

About N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide

N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide (PubChem CID 126079248) has the molecular formula C21H16BrCl3N2O3S and a molecular weight of 562.70 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide.

Molecular Properties

• Compound Name: N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide
• PubChem CID: 126079248
• Molecular Formula: C21H16BrCl3N2O3S
• Molecular Weight: 562.70 g/mol
• Exact Mass: 559.91
• IUPAC Name: N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide
• SMILES: O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(Br)c1
• InChI: InChI=1S/C21H16BrCl3N2O3S/c22-15-2-1-3-18(10-15)26-21(28)13-27(12-14-4-5-17(24)11-20(14)25)31(29,30)19-8-6-16(23)7-9-19/h1-11H,12-13H2,(H,26,28)
• InChIKey: SVTJHOWQHUOYAT-UHFFFAOYSA-N
• XLogP: 6.24
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.70
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide?

The IUPAC name of N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide (CID 126079248) is N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide.

What is the SMILES notation for N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide?

The canonical SMILES for N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide is O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(Br)c1.

What is the InChIKey of N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide?

The InChIKey is SVTJHOWQHUOYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrCl3N2O3S/c22-15-2-1-3-18(10-15)26-21(28)13-27(12-14-4-5-17(24)11-20(14)25)31(29,30)19-8-6-16(23)7-9-19/h1-11H,12-13H2,(H,26,28).

What are the key properties of N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide?

N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide has a molecular weight of 562.70 g/mol, XLogP of 6.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide is sourced from PubChem (CID 126079248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).