2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide

C25H24Cl2N2O3S — CID 133191964

About 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide

2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide (PubChem CID 133191964) has the molecular formula C25H24Cl2N2O3S and a molecular weight of 503.45 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
• PubChem CID: 133191964
• Molecular Formula: C25H24Cl2N2O3S
• Molecular Weight: 503.45 g/mol
• Exact Mass: 502.09
• IUPAC Name: 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
• SMILES: CC(NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCC2
• InChI: InChI=1S/C25H24Cl2N2O3S/c1-17(19-11-10-18-6-5-7-20(18)12-19)28-25(30)16-29(23-14-21(26)13-22(27)15-23)33(31,32)24-8-3-2-4-9-24/h2-4,8-15,17H,5-7,16H2,1H3,(H,28,30)
• InChIKey: BERVRZBYUNECQD-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.45
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide?

The IUPAC name of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide (CID 133191964) is 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide.

What is the SMILES notation for 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide?

The canonical SMILES for 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide is CC(NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCC2.

What is the InChIKey of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide?

The InChIKey is BERVRZBYUNECQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N2O3S/c1-17(19-11-10-18-6-5-7-20(18)12-19)28-25(30)16-29(23-14-21(26)13-22(27)15-23)33(31,32)24-8-3-2-4-9-24/h2-4,8-15,17H,5-7,16H2,1H3,(H,28,30).

What are the key properties of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide?

2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide has a molecular weight of 503.45 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide is sourced from PubChem (CID 133191964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).