5-chloro-1-(3-ethylsulfonylpropyl)indole

C13H16ClNO2S — CID 116623147

IUPAC5-chloro-1-(3-ethylsulfonylpropyl)indole
SMILESCCS(=O)(=O)CCCn1ccc2cc(Cl)ccc21
InChIInChI=1S/C13H16ClNO2S/c1-2-18(16,17)9-3-7-15-8-6-11-10-12(14)4-5-13(11)15/h4-6,8,10H,2-3,7,9H2,1H3
InChIKeyCBTKMYWYGOQUMM-UHFFFAOYSA-N
MW285.80 g/mol
LogP3.12
Rot. Bonds5

About 5-chloro-1-(3-ethylsulfonylpropyl)indole

5-chloro-1-(3-ethylsulfonylpropyl)indole (PubChem CID 116623147) has the molecular formula C13H16ClNO2S and a molecular weight of 285.80 g/mol. Its IUPAC name is 5-chloro-1-(3-ethylsulfonylpropyl)indole.

Molecular Properties

Compound Name5-chloro-1-(3-ethylsulfonylpropyl)indole
PubChem CID116623147
Molecular FormulaC13H16ClNO2S
Molecular Weight285.80 g/mol
Exact Mass285.06
IUPAC Name5-chloro-1-(3-ethylsulfonylpropyl)indole
SMILESCCS(=O)(=O)CCCn1ccc2cc(Cl)ccc21
InChIInChI=1S/C13H16ClNO2S/c1-2-18(16,17)9-3-7-15-8-6-11-10-12(14)4-5-13(11)15/h4-6,8,10H,2-3,7,9H2,1H3
InChIKeyCBTKMYWYGOQUMM-UHFFFAOYSA-N
XLogP3.12
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethylsulfonylpropyl)-5-methoxyindole
CID 116619453
5-ethoxy-1-(3-ethylsulfonylpropyl)indole
CID 116623921
1-(3-ethylsulfonylpropyl)indole
CID 65097244
6-(5-chloroindol-1-yl)hexan-2-one
CID 63879725
4,6-dichloro-1-(3-ethylsulfonylpropyl)indole
CID 103428287
N-[3-(5-chloroindol-1-yl)propyl]cyclopropanamine
CID 55258997
N-[2-(5-chloroindol-1-yl)ethyl]hexan-1-amine
CID 63879376
1-butyl-6-chloroindole
CID 67583801
1-[2-(aziridin-1-yl)ethyl]-5-chloroindole
CID 154694205
5-chloro-1-(3,3-diethoxypropyl)indole
CID 55258806
5-chloro-1-ethylindole;ethyl formate
CID 174344649
1-(2-ethylsulfonylethyl)indole-5-carboxylic acid
CID 55230604

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(3-ethylsulfonylpropyl)indole?
The IUPAC name of 5-chloro-1-(3-ethylsulfonylpropyl)indole (CID 116623147) is 5-chloro-1-(3-ethylsulfonylpropyl)indole.
What is the SMILES notation for 5-chloro-1-(3-ethylsulfonylpropyl)indole?
The canonical SMILES for 5-chloro-1-(3-ethylsulfonylpropyl)indole is CCS(=O)(=O)CCCn1ccc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-(3-ethylsulfonylpropyl)indole?
The InChIKey is CBTKMYWYGOQUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2S/c1-2-18(16,17)9-3-7-15-8-6-11-10-12(14)4-5-13(11)15/h4-6,8,10H,2-3,7,9H2,1H3.
What are the key properties of 5-chloro-1-(3-ethylsulfonylpropyl)indole?
5-chloro-1-(3-ethylsulfonylpropyl)indole has a molecular weight of 285.80 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(3-ethylsulfonylpropyl)indole is sourced from PubChem (CID 116623147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).