2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

C26H26Cl2N2O3S — CID 133188100

About 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide (PubChem CID 133188100) has the molecular formula C26H26Cl2N2O3S and a molecular weight of 517.48 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
• PubChem CID: 133188100
• Molecular Formula: C26H26Cl2N2O3S
• Molecular Weight: 517.48 g/mol
• Exact Mass: 516.10
• IUPAC Name: 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
• SMILES: CC(NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C26H26Cl2N2O3S/c1-18(20-12-11-19-7-5-6-8-21(19)15-20)29-26(31)17-30(22-13-14-24(27)25(28)16-22)34(32,33)23-9-3-2-4-10-23/h2-4,9-16,18H,5-8,17H2,1H3,(H,29,31)
• InChIKey: DIPONMZBXSFDBT-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.48
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?

The IUPAC name of 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide (CID 133188100) is 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide.

What is the SMILES notation for 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?

The canonical SMILES for 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide is CC(NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2.

What is the InChIKey of 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?

The InChIKey is DIPONMZBXSFDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N2O3S/c1-18(20-12-11-19-7-5-6-8-21(19)15-20)29-26(31)17-30(22-13-14-24(27)25(28)16-22)34(32,33)23-9-3-2-4-10-23/h2-4,9-16,18H,5-8,17H2,1H3,(H,29,31).

What are the key properties of 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?

2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide has a molecular weight of 517.48 g/mol, XLogP of 5.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide is sourced from PubChem (CID 133188100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).