4,6-dichloro-1-(2-methylsulfonylethyl)indole

C11H11Cl2NO2S — CID 103428479

IUPAC4,6-dichloro-1-(2-methylsulfonylethyl)indole
SMILESCS(=O)(=O)CCn1ccc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C11H11Cl2NO2S/c1-17(15,16)5-4-14-3-2-9-10(13)6-8(12)7-11(9)14/h2-3,6-7H,4-5H2,1H3
InChIKeyIMQSWAUUFFTONH-UHFFFAOYSA-N
MW292.19 g/mol
LogP2.99
Rot. Bonds3

About 4,6-dichloro-1-(2-methylsulfonylethyl)indole

4,6-dichloro-1-(2-methylsulfonylethyl)indole (PubChem CID 103428479) has the molecular formula C11H11Cl2NO2S and a molecular weight of 292.19 g/mol. Its IUPAC name is 4,6-dichloro-1-(2-methylsulfonylethyl)indole.

Molecular Properties

Compound Name4,6-dichloro-1-(2-methylsulfonylethyl)indole
PubChem CID103428479
Molecular FormulaC11H11Cl2NO2S
Molecular Weight292.19 g/mol
Exact Mass290.99
IUPAC Name4,6-dichloro-1-(2-methylsulfonylethyl)indole
SMILESCS(=O)(=O)CCn1ccc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C11H11Cl2NO2S/c1-17(15,16)5-4-14-3-2-9-10(13)6-8(12)7-11(9)14/h2-3,6-7H,4-5H2,1H3
InChIKeyIMQSWAUUFFTONH-UHFFFAOYSA-N
XLogP2.99
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.19
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dichloro-1-(3-ethylsulfonylpropyl)indole
CID 103428287
4,6-dichloro-1-(2-methylsulfanylethyl)indole
CID 103428339
4,6-dichloro-1-pent-3-ynylindole
CID 103428441
4-(4,6-dichloroindol-1-yl)-N,N-dimethylbutanamide
CID 103428177
4,6-dichloro-1-[(4-ethylphenyl)methyl]indole
CID 103428167
5-(4,6-dichloroindol-1-yl)pentanenitrile
CID 103428162
2-(4,6-dichloroindol-1-yl)-N,N-dimethylacetamide
CID 103428458
2-(4,6-dichloroindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
CID 103427962
N-[2-(4,6-dichloroindol-1-yl)ethyl]aniline
CID 103428075
6-(4,6-dichloroindol-1-yl)hexanehydrazide
CID 103428130
4,6-dichloro-1-[(2,6-dichlorophenyl)methyl]indole
CID 103428456
2-[2-(4,6-dichloroindol-1-yl)ethyl]cyclopentan-1-one
CID 103427975

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1-(2-methylsulfonylethyl)indole?
The IUPAC name of 4,6-dichloro-1-(2-methylsulfonylethyl)indole (CID 103428479) is 4,6-dichloro-1-(2-methylsulfonylethyl)indole.
What is the SMILES notation for 4,6-dichloro-1-(2-methylsulfonylethyl)indole?
The canonical SMILES for 4,6-dichloro-1-(2-methylsulfonylethyl)indole is CS(=O)(=O)CCn1ccc2c(Cl)cc(Cl)cc21.
What is the InChIKey of 4,6-dichloro-1-(2-methylsulfonylethyl)indole?
The InChIKey is IMQSWAUUFFTONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO2S/c1-17(15,16)5-4-14-3-2-9-10(13)6-8(12)7-11(9)14/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 4,6-dichloro-1-(2-methylsulfonylethyl)indole?
4,6-dichloro-1-(2-methylsulfonylethyl)indole has a molecular weight of 292.19 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1-(2-methylsulfonylethyl)indole is sourced from PubChem (CID 103428479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).