6-bromo-2-(ethylsulfonylmethyl)-1H-indole

C11H12BrNO2S — CID 117180107

IUPAC6-bromo-2-(ethylsulfonylmethyl)-1H-indole
SMILESCCS(=O)(=O)Cc1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C11H12BrNO2S/c1-2-16(14,15)7-10-5-8-3-4-9(12)6-11(8)13-10/h3-6,13H,2,7H2,1H3
InChIKeyUIALDAUAIDXOQI-UHFFFAOYSA-N
MW302.19 g/mol
LogP2.87
Rot. Bonds3

About 6-bromo-2-(ethylsulfonylmethyl)-1H-indole

6-bromo-2-(ethylsulfonylmethyl)-1H-indole (PubChem CID 117180107) has the molecular formula C11H12BrNO2S and a molecular weight of 302.19 g/mol. Its IUPAC name is 6-bromo-2-(ethylsulfonylmethyl)-1H-indole.

Molecular Properties

Compound Name6-bromo-2-(ethylsulfonylmethyl)-1H-indole
PubChem CID117180107
Molecular FormulaC11H12BrNO2S
Molecular Weight302.19 g/mol
Exact Mass300.98
IUPAC Name6-bromo-2-(ethylsulfonylmethyl)-1H-indole
SMILESCCS(=O)(=O)Cc1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C11H12BrNO2S/c1-2-16(14,15)7-10-5-8-3-4-9(12)6-11(8)13-10/h3-6,13H,2,7H2,1H3
InChIKeyUIALDAUAIDXOQI-UHFFFAOYSA-N
XLogP2.87
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(ethylsulfonylmethyl)-1H-indole?
The IUPAC name of 6-bromo-2-(ethylsulfonylmethyl)-1H-indole (CID 117180107) is 6-bromo-2-(ethylsulfonylmethyl)-1H-indole.
What is the SMILES notation for 6-bromo-2-(ethylsulfonylmethyl)-1H-indole?
The canonical SMILES for 6-bromo-2-(ethylsulfonylmethyl)-1H-indole is CCS(=O)(=O)Cc1cc2ccc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-2-(ethylsulfonylmethyl)-1H-indole?
The InChIKey is UIALDAUAIDXOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2S/c1-2-16(14,15)7-10-5-8-3-4-9(12)6-11(8)13-10/h3-6,13H,2,7H2,1H3.
What are the key properties of 6-bromo-2-(ethylsulfonylmethyl)-1H-indole?
6-bromo-2-(ethylsulfonylmethyl)-1H-indole has a molecular weight of 302.19 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(ethylsulfonylmethyl)-1H-indole is sourced from PubChem (CID 117180107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).