2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C25H23Cl2N3O4S — CID 43892764

About 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 43892764) has the molecular formula C25H23Cl2N3O4S and a molecular weight of 532.45 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
• PubChem CID: 43892764
• Molecular Formula: C25H23Cl2N3O4S
• Molecular Weight: 532.45 g/mol
• Exact Mass: 531.08
• IUPAC Name: 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
• SMILES: Cc1cc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)ccc1N1CCCC1=O
• InChI: InChI=1S/C25H23Cl2N3O4S/c1-17-12-20(9-10-23(17)29-11-5-8-25(29)32)28-24(31)16-30(21-14-18(26)13-19(27)15-21)35(33,34)22-6-3-2-4-7-22/h2-4,6-7,9-10,12-15H,5,8,11,16H2,1H3,(H,28,31)
• InChIKey: GLFUXQUWPNRQNU-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 86.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.45
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?

The IUPAC name of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 43892764) is 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

What is the SMILES notation for 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?

The canonical SMILES for 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is Cc1cc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)ccc1N1CCCC1=O.

What is the InChIKey of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?

The InChIKey is GLFUXQUWPNRQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N3O4S/c1-17-12-20(9-10-23(17)29-11-5-8-25(29)32)28-24(31)16-30(21-14-18(26)13-19(27)15-21)35(33,34)22-6-3-2-4-7-22/h2-4,6-7,9-10,12-15H,5,8,11,16H2,1H3,(H,28,31).

What are the key properties of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?

2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 532.45 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 43892764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).