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

C23H21BrCl2N2O5S — CID 21372993

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

2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(2,4-dimethoxyphenyl)acetamide (PubChem CID 21372993) has the molecular formula C23H21BrCl2N2O5S and a molecular weight of 588.31 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(2,4-dimethoxyphenyl)acetamide
• PubChem CID: 21372993
• Molecular Formula: C23H21BrCl2N2O5S
• Molecular Weight: 588.31 g/mol
• Exact Mass: 585.97
• IUPAC Name: 2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(2,4-dimethoxyphenyl)acetamide
• SMILES: COc1ccc(NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Br)cc2)c(OC)c1
• InChI: InChI=1S/C23H21BrCl2N2O5S/c1-32-18-7-10-21(22(12-18)33-2)27-23(29)14-28(13-15-3-6-17(25)11-20(15)26)34(30,31)19-8-4-16(24)5-9-19/h3-12H,13-14H2,1-2H3,(H,27,29)
• InChIKey: QPJHQUFBPYEKDI-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 84.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.31
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(2,4-dimethoxyphenyl)acetamide (CID 21372993) is 2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(2,4-dimethoxyphenyl)acetamide.

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

The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(2,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Br)cc2)c(OC)c1.

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

The InChIKey is QPJHQUFBPYEKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrCl2N2O5S/c1-32-18-7-10-21(22(12-18)33-2)27-23(29)14-28(13-15-3-6-17(25)11-20(15)26)34(30,31)19-8-4-16(24)5-9-19/h3-12H,13-14H2,1-2H3,(H,27,29).

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

2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 588.31 g/mol, XLogP of 5.60, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 21372993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).