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

C25H24Cl2N2O3S — CID 68691790

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

2-[5,7-dichloro-1-(4-methylphenyl)sulfonyl-2-phenylindol-3-yl]oxy-N,N-dimethylethanamine (PubChem CID 68691790) has the molecular formula C25H24Cl2N2O3S and a molecular weight of 503.45 g/mol. Its IUPAC name is 2-[5,7-dichloro-1-(4-methylphenyl)sulfonyl-2-phenylindol-3-yl]oxy-N,N-dimethylethanamine.

Molecular Properties

• Compound Name: 2-[5,7-dichloro-1-(4-methylphenyl)sulfonyl-2-phenylindol-3-yl]oxy-N,N-dimethylethanamine
• PubChem CID: 68691790
• Molecular Formula: C25H24Cl2N2O3S
• Molecular Weight: 503.45 g/mol
• Exact Mass: 502.09
• IUPAC Name: 2-[5,7-dichloro-1-(4-methylphenyl)sulfonyl-2-phenylindol-3-yl]oxy-N,N-dimethylethanamine
• SMILES: Cc1ccc(S(=O)(=O)n2c(-c3ccccc3)c(OCCN(C)C)c3cc(Cl)cc(Cl)c32)cc1
• InChI: InChI=1S/C25H24Cl2N2O3S/c1-17-9-11-20(12-10-17)33(30,31)29-23(18-7-5-4-6-8-18)25(32-14-13-28(2)3)21-15-19(26)16-22(27)24(21)29/h4-12,15-16H,13-14H2,1-3H3
• InChIKey: QYGZARVPRYHYGC-UHFFFAOYSA-N
• XLogP: 6.10
• 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	503.45
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[5,7-dichloro-1-(4-methylphenyl)sulfonyl-2-phenylindol-3-yl]oxy-N,N-dimethylethanamine (CID 68691790) is 2-[5,7-dichloro-1-(4-methylphenyl)sulfonyl-2-phenylindol-3-yl]oxy-N,N-dimethylethanamine.

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

The canonical SMILES for 2-[5,7-dichloro-1-(4-methylphenyl)sulfonyl-2-phenylindol-3-yl]oxy-N,N-dimethylethanamine is Cc1ccc(S(=O)(=O)n2c(-c3ccccc3)c(OCCN(C)C)c3cc(Cl)cc(Cl)c32)cc1.

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

The InChIKey is QYGZARVPRYHYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N2O3S/c1-17-9-11-20(12-10-17)33(30,31)29-23(18-7-5-4-6-8-18)25(32-14-13-28(2)3)21-15-19(26)16-22(27)24(21)29/h4-12,15-16H,13-14H2,1-3H3.

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

2-[5,7-dichloro-1-(4-methylphenyl)sulfonyl-2-phenylindol-3-yl]oxy-N,N-dimethylethanamine has a molecular weight of 503.45 g/mol, XLogP of 6.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5,7-dichloro-1-(4-methylphenyl)sulfonyl-2-phenylindol-3-yl]oxy-N,N-dimethylethanamine is sourced from PubChem (CID 68691790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).