2-[5,7-dibromo-1-(2-bromophenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine

C18H17Br3N2O3S — CID 10483353

IUPAC2-[5,7-dibromo-1-(2-bromophenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine
SMILESCN(C)CCOc1cn(S(=O)(=O)c2ccccc2Br)c2c(Br)cc(Br)cc12
InChIInChI=1S/C18H17Br3N2O3S/c1-22(2)7-8-26-16-11-23(18-13(16)9-12(19)10-15(18)21)27(24,25)17-6-4-3-5-14(17)20/h3-6,9-11H,7-8H2,1-2H3
InChIKeyIFKSJJJDTKKFBF-UHFFFAOYSA-N
MW581.12 g/mol
LogP5.11
Rot. Bonds6

About 2-[5,7-dibromo-1-(2-bromophenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine

2-[5,7-dibromo-1-(2-bromophenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine (PubChem CID 10483353) has the molecular formula C18H17Br3N2O3S and a molecular weight of 581.12 g/mol. Its IUPAC name is 2-[5,7-dibromo-1-(2-bromophenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5,7-dibromo-1-(2-bromophenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine
PubChem CID10483353
Molecular FormulaC18H17Br3N2O3S
Molecular Weight581.12 g/mol
Exact Mass577.85
IUPAC Name2-[5,7-dibromo-1-(2-bromophenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine
SMILESCN(C)CCOc1cn(S(=O)(=O)c2ccccc2Br)c2c(Br)cc(Br)cc12
InChIInChI=1S/C18H17Br3N2O3S/c1-22(2)7-8-26-16-11-23(18-13(16)9-12(19)10-15(18)21)27(24,25)17-6-4-3-5-14(17)20/h3-6,9-11H,7-8H2,1-2H3
InChIKeyIFKSJJJDTKKFBF-UHFFFAOYSA-N
XLogP5.11
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.12
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-bromo-1-(2-bromo-4-methoxyphenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine
CID 10482178
2-[1-(benzenesulfonyl)-5,7-dichloroindol-3-yl]oxy-N,N-dimethylethanamine
CID 10341636
2-[1-(benzenesulfonyl)-5,7-dibromo-2-phenylindol-3-yl]oxy-N,N-dimethylethanamine
CID 68691072
2-[1-(2-bromo-4-methoxyphenyl)sulfonyl-6-chloroindol-3-yl]oxy-N,N-dimethylethanamine
CID 68693045
2-[1-(2-bromophenyl)sulfonyl-5-methoxy-2-methylindol-3-yl]oxy-N,N-dimethylethanamine
CID 68692673
2-[1-(2-bromophenyl)sulfonyl-4,6,7-trichloroindol-3-yl]-N,N-dimethylethanamine
CID 69362890
2-[5,7-dibromo-1-(4-fluorophenyl)sulfonyl-2-phenylindol-3-yl]oxy-N,N-dimethylethanamine
CID 68689090
2-[1-(2-bromophenyl)sulfonyl-5,7-dichloro-2-phenylindol-3-yl]oxy-N,N-dimethylethanamine
CID 68690574
2-[5,7-dibromo-2-methyl-1-(4-propan-2-ylphenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine
CID 68690752
2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzenesulfonamide
CID 26544462
2-[(5,7-dibromo-1H-indol-3-yl)oxy]-N,N-dimethylethanamine
CID 68688161
1-[2-(2-bromophenoxy)ethyl]-1-methylhydrazine
CID 82294553

Frequently Asked Questions

What is the IUPAC name of 2-[5,7-dibromo-1-(2-bromophenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine?
The IUPAC name of 2-[5,7-dibromo-1-(2-bromophenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine (CID 10483353) is 2-[5,7-dibromo-1-(2-bromophenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5,7-dibromo-1-(2-bromophenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-[5,7-dibromo-1-(2-bromophenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine is CN(C)CCOc1cn(S(=O)(=O)c2ccccc2Br)c2c(Br)cc(Br)cc12.
What is the InChIKey of 2-[5,7-dibromo-1-(2-bromophenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine?
The InChIKey is IFKSJJJDTKKFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Br3N2O3S/c1-22(2)7-8-26-16-11-23(18-13(16)9-12(19)10-15(18)21)27(24,25)17-6-4-3-5-14(17)20/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 2-[5,7-dibromo-1-(2-bromophenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine?
2-[5,7-dibromo-1-(2-bromophenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine has a molecular weight of 581.12 g/mol, XLogP of 5.11, 6 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-(2-bromophenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine is sourced from PubChem (CID 10483353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).