4,6-dichloro-1-(3-ethylsulfonylpropyl)indole

C13H15Cl2NO2S — CID 103428287

IUPAC4,6-dichloro-1-(3-ethylsulfonylpropyl)indole
SMILESCCS(=O)(=O)CCCn1ccc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C13H15Cl2NO2S/c1-2-19(17,18)7-3-5-16-6-4-11-12(15)8-10(14)9-13(11)16/h4,6,8-9H,2-3,5,7H2,1H3
InChIKeyDUCUQBQDTIFMEB-UHFFFAOYSA-N
MW320.24 g/mol
LogP3.77
Rot. Bonds5

About 4,6-dichloro-1-(3-ethylsulfonylpropyl)indole

4,6-dichloro-1-(3-ethylsulfonylpropyl)indole (PubChem CID 103428287) has the molecular formula C13H15Cl2NO2S and a molecular weight of 320.24 g/mol. Its IUPAC name is 4,6-dichloro-1-(3-ethylsulfonylpropyl)indole.

Molecular Properties

Compound Name4,6-dichloro-1-(3-ethylsulfonylpropyl)indole
PubChem CID103428287
Molecular FormulaC13H15Cl2NO2S
Molecular Weight320.24 g/mol
Exact Mass319.02
IUPAC Name4,6-dichloro-1-(3-ethylsulfonylpropyl)indole
SMILESCCS(=O)(=O)CCCn1ccc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C13H15Cl2NO2S/c1-2-19(17,18)7-3-5-16-6-4-11-12(15)8-10(14)9-13(11)16/h4,6,8-9H,2-3,5,7H2,1H3
InChIKeyDUCUQBQDTIFMEB-UHFFFAOYSA-N
XLogP3.77
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.24
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dichloro-1-(2-methylsulfonylethyl)indole
CID 103428479
5-chloro-1-(3-ethylsulfonylpropyl)indole
CID 116623147
4-(4,6-dichloroindol-1-yl)-N,N-dimethylbutanamide
CID 103428177
4,6-dichloro-1-(2-methylsulfanylethyl)indole
CID 103428339
5-(4,6-dichloroindol-1-yl)pentanenitrile
CID 103428162
4,6-dichloro-1-pent-3-ynylindole
CID 103428441
6-(4,6-dichloroindol-1-yl)hexanehydrazide
CID 103428130
4,6-dichloro-1-[(4-ethylphenyl)methyl]indole
CID 103428167
1-(3-ethylsulfonylpropyl)indole
CID 65097244
2-(4,6-dichloroindol-1-yl)-N,N-dimethylacetamide
CID 103428458
2-(4,6-dichloroindol-1-yl)-N-ethyl-N-methylacetamide
CID 103428284
2-(4,6-dichloroindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
CID 103427962

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1-(3-ethylsulfonylpropyl)indole?
The IUPAC name of 4,6-dichloro-1-(3-ethylsulfonylpropyl)indole (CID 103428287) is 4,6-dichloro-1-(3-ethylsulfonylpropyl)indole.
What is the SMILES notation for 4,6-dichloro-1-(3-ethylsulfonylpropyl)indole?
The canonical SMILES for 4,6-dichloro-1-(3-ethylsulfonylpropyl)indole is CCS(=O)(=O)CCCn1ccc2c(Cl)cc(Cl)cc21.
What is the InChIKey of 4,6-dichloro-1-(3-ethylsulfonylpropyl)indole?
The InChIKey is DUCUQBQDTIFMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2S/c1-2-19(17,18)7-3-5-16-6-4-11-12(15)8-10(14)9-13(11)16/h4,6,8-9H,2-3,5,7H2,1H3.
What are the key properties of 4,6-dichloro-1-(3-ethylsulfonylpropyl)indole?
4,6-dichloro-1-(3-ethylsulfonylpropyl)indole has a molecular weight of 320.24 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1-(3-ethylsulfonylpropyl)indole is sourced from PubChem (CID 103428287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).