2-(furan-2-yl)-5-methylsulfonyl-1H-indole

C13H11NO3S — CID 22504447

IUPAC2-(furan-2-yl)-5-methylsulfonyl-1H-indole
SMILESCS(=O)(=O)c1ccc2[nH]c(-c3ccco3)cc2c1
InChIInChI=1S/C13H11NO3S/c1-18(15,16)10-4-5-11-9(7-10)8-12(14-11)13-3-2-6-17-13/h2-8,14H,1H3
InChIKeyHQJMWLJIYWPKQT-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.83
Rot. Bonds2

About 2-(furan-2-yl)-5-methylsulfonyl-1H-indole

2-(furan-2-yl)-5-methylsulfonyl-1H-indole (PubChem CID 22504447) has the molecular formula C13H11NO3S and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-methylsulfonyl-1H-indole.

Molecular Properties

Compound Name2-(furan-2-yl)-5-methylsulfonyl-1H-indole
PubChem CID22504447
Molecular FormulaC13H11NO3S
Molecular Weight261.30 g/mol
Exact Mass261.05
IUPAC Name2-(furan-2-yl)-5-methylsulfonyl-1H-indole
SMILESCS(=O)(=O)c1ccc2[nH]c(-c3ccco3)cc2c1
InChIInChI=1S/C13H11NO3S/c1-18(15,16)10-4-5-11-9(7-10)8-12(14-11)13-3-2-6-17-13/h2-8,14H,1H3
InChIKeyHQJMWLJIYWPKQT-UHFFFAOYSA-N
XLogP2.83
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-methylsulfonyl-1H-indole?
The IUPAC name of 2-(furan-2-yl)-5-methylsulfonyl-1H-indole (CID 22504447) is 2-(furan-2-yl)-5-methylsulfonyl-1H-indole.
What is the SMILES notation for 2-(furan-2-yl)-5-methylsulfonyl-1H-indole?
The canonical SMILES for 2-(furan-2-yl)-5-methylsulfonyl-1H-indole is CS(=O)(=O)c1ccc2[nH]c(-c3ccco3)cc2c1.
What is the InChIKey of 2-(furan-2-yl)-5-methylsulfonyl-1H-indole?
The InChIKey is HQJMWLJIYWPKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3S/c1-18(15,16)10-4-5-11-9(7-10)8-12(14-11)13-3-2-6-17-13/h2-8,14H,1H3.
What are the key properties of 2-(furan-2-yl)-5-methylsulfonyl-1H-indole?
2-(furan-2-yl)-5-methylsulfonyl-1H-indole has a molecular weight of 261.30 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-methylsulfonyl-1H-indole is sourced from PubChem (CID 22504447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).