1-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]ethanone

C25H23BrN2O4S — CID 133159945

About 1-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]ethanone

1-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]ethanone (PubChem CID 133159945) has the molecular formula C25H23BrN2O4S and a molecular weight of 527.44 g/mol. Its IUPAC name is 1-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]ethanone.

Molecular Properties

• Compound Name: 1-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]ethanone
• PubChem CID: 133159945
• Molecular Formula: C25H23BrN2O4S
• Molecular Weight: 527.44 g/mol
• Exact Mass: 526.06
• IUPAC Name: 1-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]ethanone
• SMILES: CC1Cc2cc(Br)ccc2N1C(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
• InChI: InChI=1S/C25H23BrN2O4S/c1-17-14-19-15-20(26)6-11-24(19)28(17)25(29)16-32-21-7-9-22(10-8-21)33(30,31)27-13-12-18-4-2-3-5-23(18)27/h2-11,15,17H,12-14,16H2,1H3
• InChIKey: BCYIBNNBLHIAHF-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 66.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.44
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]ethanone?

The IUPAC name of 1-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]ethanone (CID 133159945) is 1-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]ethanone.

What is the SMILES notation for 1-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]ethanone?

The canonical SMILES for 1-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]ethanone is CC1Cc2cc(Br)ccc2N1C(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1.

What is the InChIKey of 1-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]ethanone?

The InChIKey is BCYIBNNBLHIAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23BrN2O4S/c1-17-14-19-15-20(26)6-11-24(19)28(17)25(29)16-32-21-7-9-22(10-8-21)33(30,31)27-13-12-18-4-2-3-5-23(18)27/h2-11,15,17H,12-14,16H2,1H3.

What are the key properties of 1-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]ethanone?

1-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]ethanone has a molecular weight of 527.44 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]ethanone is sourced from PubChem (CID 133159945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).