2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[5-chloro-2-(2-methoxyphenoxy)phenyl]acetamide

C28H24Cl2N2O5S — CID 43893000

About 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[5-chloro-2-(2-methoxyphenoxy)phenyl]acetamide

2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[5-chloro-2-(2-methoxyphenoxy)phenyl]acetamide (PubChem CID 43893000) has the molecular formula C28H24Cl2N2O5S and a molecular weight of 571.48 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[5-chloro-2-(2-methoxyphenoxy)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[5-chloro-2-(2-methoxyphenoxy)phenyl]acetamide
• PubChem CID: 43893000
• Molecular Formula: C28H24Cl2N2O5S
• Molecular Weight: 571.48 g/mol
• Exact Mass: 570.08
• IUPAC Name: 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[5-chloro-2-(2-methoxyphenoxy)phenyl]acetamide
• SMILES: COc1ccccc1Oc1ccc(Cl)cc1NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1
• InChI: InChI=1S/C28H24Cl2N2O5S/c1-19-12-13-21(30)17-24(19)32(38(34,35)22-8-4-3-5-9-22)18-28(33)31-23-16-20(29)14-15-25(23)37-27-11-7-6-10-26(27)36-2/h3-17H,18H2,1-2H3,(H,31,33)
• InChIKey: NGEJXHXBNBWZOT-UHFFFAOYSA-N
• XLogP: 6.94
• TPSA: 84.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.48
LogP ≤ 5	6.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[5-chloro-2-(2-methoxyphenoxy)phenyl]acetamide?

The IUPAC name of 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[5-chloro-2-(2-methoxyphenoxy)phenyl]acetamide (CID 43893000) is 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[5-chloro-2-(2-methoxyphenoxy)phenyl]acetamide.

What is the SMILES notation for 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[5-chloro-2-(2-methoxyphenoxy)phenyl]acetamide?

The canonical SMILES for 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[5-chloro-2-(2-methoxyphenoxy)phenyl]acetamide is COc1ccccc1Oc1ccc(Cl)cc1NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1.

What is the InChIKey of 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[5-chloro-2-(2-methoxyphenoxy)phenyl]acetamide?

The InChIKey is NGEJXHXBNBWZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Cl2N2O5S/c1-19-12-13-21(30)17-24(19)32(38(34,35)22-8-4-3-5-9-22)18-28(33)31-23-16-20(29)14-15-25(23)37-27-11-7-6-10-26(27)36-2/h3-17H,18H2,1-2H3,(H,31,33).

What are the key properties of 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[5-chloro-2-(2-methoxyphenoxy)phenyl]acetamide?

2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[5-chloro-2-(2-methoxyphenoxy)phenyl]acetamide has a molecular weight of 571.48 g/mol, XLogP of 6.94, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[5-chloro-2-(2-methoxyphenoxy)phenyl]acetamide is sourced from PubChem (CID 43893000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).