2-[1-(benzenesulfonyl)-5,7-dichloroindol-3-yl]oxy-N,N-dimethylethanamine

C18H18Cl2N2O3S — CID 10341636

IUPAC2-[1-(benzenesulfonyl)-5,7-dichloroindol-3-yl]oxy-N,N-dimethylethanamine
SMILESCN(C)CCOc1cn(S(=O)(=O)c2ccccc2)c2c(Cl)cc(Cl)cc12
InChIInChI=1S/C18H18Cl2N2O3S/c1-21(2)8-9-25-17-12-22(18-15(17)10-13(19)11-16(18)20)26(23,24)14-6-4-3-5-7-14/h3-7,10-12H,8-9H2,1-2H3
InChIKeyWRMXCEHZGISDBU-UHFFFAOYSA-N
MW413.33 g/mol
LogP4.13
Rot. Bonds6

About 2-[1-(benzenesulfonyl)-5,7-dichloroindol-3-yl]oxy-N,N-dimethylethanamine

2-[1-(benzenesulfonyl)-5,7-dichloroindol-3-yl]oxy-N,N-dimethylethanamine (PubChem CID 10341636) has the molecular formula C18H18Cl2N2O3S and a molecular weight of 413.33 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)-5,7-dichloroindol-3-yl]oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)-5,7-dichloroindol-3-yl]oxy-N,N-dimethylethanamine
PubChem CID10341636
Molecular FormulaC18H18Cl2N2O3S
Molecular Weight413.33 g/mol
Exact Mass412.04
IUPAC Name2-[1-(benzenesulfonyl)-5,7-dichloroindol-3-yl]oxy-N,N-dimethylethanamine
SMILESCN(C)CCOc1cn(S(=O)(=O)c2ccccc2)c2c(Cl)cc(Cl)cc12
InChIInChI=1S/C18H18Cl2N2O3S/c1-21(2)8-9-25-17-12-22(18-15(17)10-13(19)11-16(18)20)26(23,24)14-6-4-3-5-7-14/h3-7,10-12H,8-9H2,1-2H3
InChIKeyWRMXCEHZGISDBU-UHFFFAOYSA-N
XLogP4.13
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.33
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-chloro-1-(4-methylphenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine
CID 68691484
2-[5,7-dichloro-1-(4-methylphenyl)sulfonyl-2-phenylindol-3-yl]oxy-N,N-dimethylethanamine
CID 68691790
2-[5,7-dibromo-1-(2-bromophenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine
CID 10483353
2-[1-(2-bromophenyl)sulfonyl-5,7-dichloro-2-phenylindol-3-yl]oxy-N,N-dimethylethanamine
CID 68690574
2-(1-benzyl-5,7-dichloro-2-methylindol-3-yl)oxy-N,N-dimethylethanamine
CID 11740300
[5,7-dichloro-3-[2-(dimethylamino)ethoxy]-2-methylindol-1-yl]-phenylmethanone
CID 10385762
2-[7-bromo-5-chloro-1-(4-fluorophenyl)sulfonyl-2-phenylindol-3-yl]oxy-N,N-dimethylethanamine
CID 68691900
2-[1-(2-bromo-4-methoxyphenyl)sulfonyl-6-chloroindol-3-yl]oxy-N,N-dimethylethanamine
CID 68693045
2-[7-bromo-1-(4-bromophenyl)sulfonyl-5-chloro-2-methylindol-3-yl]oxy-N,N-dimethylethanamine
CID 68691246
N,N-dimethyl-2-[1-[3-(trifluoromethyl)phenyl]sulfonylindol-4-yl]oxyethanamine;2,2,2-trifluoroacetic acid
CID 23501244
[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]boronic acid
CID 53216473
2-[1-(benzenesulfonyl)-5,7-dibromo-2-phenylindol-3-yl]oxy-N,N-dimethylethanamine
CID 68691072

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)-5,7-dichloroindol-3-yl]oxy-N,N-dimethylethanamine?
The IUPAC name of 2-[1-(benzenesulfonyl)-5,7-dichloroindol-3-yl]oxy-N,N-dimethylethanamine (CID 10341636) is 2-[1-(benzenesulfonyl)-5,7-dichloroindol-3-yl]oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-[1-(benzenesulfonyl)-5,7-dichloroindol-3-yl]oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-[1-(benzenesulfonyl)-5,7-dichloroindol-3-yl]oxy-N,N-dimethylethanamine is CN(C)CCOc1cn(S(=O)(=O)c2ccccc2)c2c(Cl)cc(Cl)cc12.
What is the InChIKey of 2-[1-(benzenesulfonyl)-5,7-dichloroindol-3-yl]oxy-N,N-dimethylethanamine?
The InChIKey is WRMXCEHZGISDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3S/c1-21(2)8-9-25-17-12-22(18-15(17)10-13(19)11-16(18)20)26(23,24)14-6-4-3-5-7-14/h3-7,10-12H,8-9H2,1-2H3.
What are the key properties of 2-[1-(benzenesulfonyl)-5,7-dichloroindol-3-yl]oxy-N,N-dimethylethanamine?
2-[1-(benzenesulfonyl)-5,7-dichloroindol-3-yl]oxy-N,N-dimethylethanamine has a molecular weight of 413.33 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)-5,7-dichloroindol-3-yl]oxy-N,N-dimethylethanamine is sourced from PubChem (CID 10341636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).