6-bromo-1-(2-methylsulfonylethyl)indole

C11H12BrNO2S — CID 116621937

IUPAC6-bromo-1-(2-methylsulfonylethyl)indole
SMILESCS(=O)(=O)CCn1ccc2ccc(Br)cc21
InChIInChI=1S/C11H12BrNO2S/c1-16(14,15)7-6-13-5-4-9-2-3-10(12)8-11(9)13/h2-5,8H,6-7H2,1H3
InChIKeyUEOORRKQWBOYDX-UHFFFAOYSA-N
MW302.19 g/mol
LogP2.45
Rot. Bonds3

About 6-bromo-1-(2-methylsulfonylethyl)indole

6-bromo-1-(2-methylsulfonylethyl)indole (PubChem CID 116621937) has the molecular formula C11H12BrNO2S and a molecular weight of 302.19 g/mol. Its IUPAC name is 6-bromo-1-(2-methylsulfonylethyl)indole.

Molecular Properties

Compound Name6-bromo-1-(2-methylsulfonylethyl)indole
PubChem CID116621937
Molecular FormulaC11H12BrNO2S
Molecular Weight302.19 g/mol
Exact Mass300.98
IUPAC Name6-bromo-1-(2-methylsulfonylethyl)indole
SMILESCS(=O)(=O)CCn1ccc2ccc(Br)cc21
InChIInChI=1S/C11H12BrNO2S/c1-16(14,15)7-6-13-5-4-9-2-3-10(12)8-11(9)13/h2-5,8H,6-7H2,1H3
InChIKeyUEOORRKQWBOYDX-UHFFFAOYSA-N
XLogP2.45
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(2-methylsulfonylethyl)indole?
The IUPAC name of 6-bromo-1-(2-methylsulfonylethyl)indole (CID 116621937) is 6-bromo-1-(2-methylsulfonylethyl)indole.
What is the SMILES notation for 6-bromo-1-(2-methylsulfonylethyl)indole?
The canonical SMILES for 6-bromo-1-(2-methylsulfonylethyl)indole is CS(=O)(=O)CCn1ccc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1-(2-methylsulfonylethyl)indole?
The InChIKey is UEOORRKQWBOYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2S/c1-16(14,15)7-6-13-5-4-9-2-3-10(12)8-11(9)13/h2-5,8H,6-7H2,1H3.
What are the key properties of 6-bromo-1-(2-methylsulfonylethyl)indole?
6-bromo-1-(2-methylsulfonylethyl)indole has a molecular weight of 302.19 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(2-methylsulfonylethyl)indole is sourced from PubChem (CID 116621937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).