5-bromo-1-(2-propylsulfonylethyl)indole

C13H16BrNO2S — CID 106731628

IUPAC5-bromo-1-(2-propylsulfonylethyl)indole
SMILESCCCS(=O)(=O)CCn1ccc2cc(Br)ccc21
InChIInChI=1S/C13H16BrNO2S/c1-2-8-18(16,17)9-7-15-6-5-11-10-12(14)3-4-13(11)15/h3-6,10H,2,7-9H2,1H3
InChIKeyMWMKSLBLNJCERM-UHFFFAOYSA-N
MW330.25 g/mol
LogP3.23
Rot. Bonds5

About 5-bromo-1-(2-propylsulfonylethyl)indole

5-bromo-1-(2-propylsulfonylethyl)indole (PubChem CID 106731628) has the molecular formula C13H16BrNO2S and a molecular weight of 330.25 g/mol. Its IUPAC name is 5-bromo-1-(2-propylsulfonylethyl)indole.

Molecular Properties

Compound Name5-bromo-1-(2-propylsulfonylethyl)indole
PubChem CID106731628
Molecular FormulaC13H16BrNO2S
Molecular Weight330.25 g/mol
Exact Mass329.01
IUPAC Name5-bromo-1-(2-propylsulfonylethyl)indole
SMILESCCCS(=O)(=O)CCn1ccc2cc(Br)ccc21
InChIInChI=1S/C13H16BrNO2S/c1-2-8-18(16,17)9-7-15-6-5-11-10-12(14)3-4-13(11)15/h3-6,10H,2,7-9H2,1H3
InChIKeyMWMKSLBLNJCERM-UHFFFAOYSA-N
XLogP3.23
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.25
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-propylsulfonylethyl)indole-5-carbothioamide
CID 107920480
2-(5-bromoindol-1-yl)-N-(2-methylsulfonylethyl)ethanamine
CID 62564421
6-bromo-1-(2-methylsulfonylethyl)indole
CID 116621937
1-(2-ethylsulfonylethyl)indole-5-carboxylic acid
CID 55230604
1-(2-propylsulfonylethyl)indole-6-carbonitrile
CID 107917116
2-[1-(2-propylsulfonylethyl)indol-6-yl]ethanamine
CID 106720970
1-[1-(2-ethylsulfonylethyl)indol-5-yl]propan-2-amine
CID 102917550
5-bromo-1-pent-3-ynylindole
CID 116619720
N-[2-(5-bromoindol-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 62562872
5-(5-bromoindol-1-yl)pentanoic acid
CID 43152065
6-bromo-1-(3-methylsulfonylpropyl)indole
CID 116621947
4-methyl-1-(2-propylsulfonylethyl)pyridin-2-one
CID 106731659

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2-propylsulfonylethyl)indole?
The IUPAC name of 5-bromo-1-(2-propylsulfonylethyl)indole (CID 106731628) is 5-bromo-1-(2-propylsulfonylethyl)indole.
What is the SMILES notation for 5-bromo-1-(2-propylsulfonylethyl)indole?
The canonical SMILES for 5-bromo-1-(2-propylsulfonylethyl)indole is CCCS(=O)(=O)CCn1ccc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-(2-propylsulfonylethyl)indole?
The InChIKey is MWMKSLBLNJCERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2S/c1-2-8-18(16,17)9-7-15-6-5-11-10-12(14)3-4-13(11)15/h3-6,10H,2,7-9H2,1H3.
What are the key properties of 5-bromo-1-(2-propylsulfonylethyl)indole?
5-bromo-1-(2-propylsulfonylethyl)indole has a molecular weight of 330.25 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2-propylsulfonylethyl)indole is sourced from PubChem (CID 106731628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).