2-[7-bromo-1-(4-bromophenyl)sulfonyl-5-chloro-2-methylindol-3-yl]oxy-N,N-dimethylethanamine

C19H19Br2ClN2O3S — CID 68691246

About 2-[7-bromo-1-(4-bromophenyl)sulfonyl-5-chloro-2-methylindol-3-yl]oxy-N,N-dimethylethanamine

2-[7-bromo-1-(4-bromophenyl)sulfonyl-5-chloro-2-methylindol-3-yl]oxy-N,N-dimethylethanamine (PubChem CID 68691246) has the molecular formula C19H19Br2ClN2O3S and a molecular weight of 550.70 g/mol. Its IUPAC name is 2-[7-bromo-1-(4-bromophenyl)sulfonyl-5-chloro-2-methylindol-3-yl]oxy-N,N-dimethylethanamine.

Molecular Properties

• Compound Name: 2-[7-bromo-1-(4-bromophenyl)sulfonyl-5-chloro-2-methylindol-3-yl]oxy-N,N-dimethylethanamine
• PubChem CID: 68691246
• Molecular Formula: C19H19Br2ClN2O3S
• Molecular Weight: 550.70 g/mol
• Exact Mass: 547.92
• IUPAC Name: 2-[7-bromo-1-(4-bromophenyl)sulfonyl-5-chloro-2-methylindol-3-yl]oxy-N,N-dimethylethanamine
• SMILES: Cc1c(OCCN(C)C)c2cc(Cl)cc(Br)c2n1S(=O)(=O)c1ccc(Br)cc1
• InChI: InChI=1S/C19H19Br2ClN2O3S/c1-12-19(27-9-8-23(2)3)16-10-14(22)11-17(21)18(16)24(12)28(25,26)15-6-4-13(20)5-7-15/h4-7,10-11H,8-9H2,1-3H3
• InChIKey: DGAHTDUCSJJTSL-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 51.54 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.70
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[7-bromo-1-(4-bromophenyl)sulfonyl-5-chloro-2-methylindol-3-yl]oxy-N,N-dimethylethanamine?

The IUPAC name of 2-[7-bromo-1-(4-bromophenyl)sulfonyl-5-chloro-2-methylindol-3-yl]oxy-N,N-dimethylethanamine (CID 68691246) is 2-[7-bromo-1-(4-bromophenyl)sulfonyl-5-chloro-2-methylindol-3-yl]oxy-N,N-dimethylethanamine.

What is the SMILES notation for 2-[7-bromo-1-(4-bromophenyl)sulfonyl-5-chloro-2-methylindol-3-yl]oxy-N,N-dimethylethanamine?

The canonical SMILES for 2-[7-bromo-1-(4-bromophenyl)sulfonyl-5-chloro-2-methylindol-3-yl]oxy-N,N-dimethylethanamine is Cc1c(OCCN(C)C)c2cc(Cl)cc(Br)c2n1S(=O)(=O)c1ccc(Br)cc1.

What is the InChIKey of 2-[7-bromo-1-(4-bromophenyl)sulfonyl-5-chloro-2-methylindol-3-yl]oxy-N,N-dimethylethanamine?

The InChIKey is DGAHTDUCSJJTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Br2ClN2O3S/c1-12-19(27-9-8-23(2)3)16-10-14(22)11-17(21)18(16)24(12)28(25,26)15-6-4-13(20)5-7-15/h4-7,10-11H,8-9H2,1-3H3.

What are the key properties of 2-[7-bromo-1-(4-bromophenyl)sulfonyl-5-chloro-2-methylindol-3-yl]oxy-N,N-dimethylethanamine?

2-[7-bromo-1-(4-bromophenyl)sulfonyl-5-chloro-2-methylindol-3-yl]oxy-N,N-dimethylethanamine has a molecular weight of 550.70 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-bromo-1-(4-bromophenyl)sulfonyl-5-chloro-2-methylindol-3-yl]oxy-N,N-dimethylethanamine is sourced from PubChem (CID 68691246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).