2-[5,7-dibromo-1-(4-fluorophenyl)sulfonyl-2-phenylindol-3-yl]oxy-N,N-dimethylethanamine

C24H21Br2FN2O3S — CID 68689090

About 2-[5,7-dibromo-1-(4-fluorophenyl)sulfonyl-2-phenylindol-3-yl]oxy-N,N-dimethylethanamine

2-[5,7-dibromo-1-(4-fluorophenyl)sulfonyl-2-phenylindol-3-yl]oxy-N,N-dimethylethanamine (PubChem CID 68689090) has the molecular formula C24H21Br2FN2O3S and a molecular weight of 596.32 g/mol. Its IUPAC name is 2-[5,7-dibromo-1-(4-fluorophenyl)sulfonyl-2-phenylindol-3-yl]oxy-N,N-dimethylethanamine.

Molecular Properties

• Compound Name: 2-[5,7-dibromo-1-(4-fluorophenyl)sulfonyl-2-phenylindol-3-yl]oxy-N,N-dimethylethanamine
• PubChem CID: 68689090
• Molecular Formula: C24H21Br2FN2O3S
• Molecular Weight: 596.32 g/mol
• Exact Mass: 593.96
• IUPAC Name: 2-[5,7-dibromo-1-(4-fluorophenyl)sulfonyl-2-phenylindol-3-yl]oxy-N,N-dimethylethanamine
• SMILES: CN(C)CCOc1c(-c2ccccc2)n(S(=O)(=O)c2ccc(F)cc2)c2c(Br)cc(Br)cc12
• InChI: InChI=1S/C24H21Br2FN2O3S/c1-28(2)12-13-32-24-20-14-17(25)15-21(26)23(20)29(22(24)16-6-4-3-5-7-16)33(30,31)19-10-8-18(27)9-11-19/h3-11,14-15H,12-13H2,1-2H3
• InChIKey: ZCSNRBREFRDDRJ-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 51.54 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	596.32
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[5,7-dibromo-1-(4-fluorophenyl)sulfonyl-2-phenylindol-3-yl]oxy-N,N-dimethylethanamine?

The IUPAC name of 2-[5,7-dibromo-1-(4-fluorophenyl)sulfonyl-2-phenylindol-3-yl]oxy-N,N-dimethylethanamine (CID 68689090) is 2-[5,7-dibromo-1-(4-fluorophenyl)sulfonyl-2-phenylindol-3-yl]oxy-N,N-dimethylethanamine.

What is the SMILES notation for 2-[5,7-dibromo-1-(4-fluorophenyl)sulfonyl-2-phenylindol-3-yl]oxy-N,N-dimethylethanamine?

The canonical SMILES for 2-[5,7-dibromo-1-(4-fluorophenyl)sulfonyl-2-phenylindol-3-yl]oxy-N,N-dimethylethanamine is CN(C)CCOc1c(-c2ccccc2)n(S(=O)(=O)c2ccc(F)cc2)c2c(Br)cc(Br)cc12.

What is the InChIKey of 2-[5,7-dibromo-1-(4-fluorophenyl)sulfonyl-2-phenylindol-3-yl]oxy-N,N-dimethylethanamine?

The InChIKey is ZCSNRBREFRDDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Br2FN2O3S/c1-28(2)12-13-32-24-20-14-17(25)15-21(26)23(20)29(22(24)16-6-4-3-5-7-16)33(30,31)19-10-8-18(27)9-11-19/h3-11,14-15H,12-13H2,1-2H3.

What are the key properties of 2-[5,7-dibromo-1-(4-fluorophenyl)sulfonyl-2-phenylindol-3-yl]oxy-N,N-dimethylethanamine?

2-[5,7-dibromo-1-(4-fluorophenyl)sulfonyl-2-phenylindol-3-yl]oxy-N,N-dimethylethanamine has a molecular weight of 596.32 g/mol, XLogP of 6.15, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5,7-dibromo-1-(4-fluorophenyl)sulfonyl-2-phenylindol-3-yl]oxy-N,N-dimethylethanamine is sourced from PubChem (CID 68689090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).