2-ethyl-5-methylsulfonyl-1H-indole

C11H13NO2S — CID 139760314

IUPAC2-ethyl-5-methylsulfonyl-1H-indole
SMILESCCc1cc2cc(S(C)(=O)=O)ccc2[nH]1
InChIInChI=1S/C11H13NO2S/c1-3-9-6-8-7-10(15(2,13)14)4-5-11(8)12-9/h4-7,12H,3H2,1-2H3
InChIKeyQACOECHXMHKCKM-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.13
Rot. Bonds2

About 2-ethyl-5-methylsulfonyl-1H-indole

2-ethyl-5-methylsulfonyl-1H-indole (PubChem CID 139760314) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-ethyl-5-methylsulfonyl-1H-indole.

Molecular Properties

Compound Name2-ethyl-5-methylsulfonyl-1H-indole
PubChem CID139760314
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name2-ethyl-5-methylsulfonyl-1H-indole
SMILESCCc1cc2cc(S(C)(=O)=O)ccc2[nH]1
InChIInChI=1S/C11H13NO2S/c1-3-9-6-8-7-10(15(2,13)14)4-5-11(8)12-9/h4-7,12H,3H2,1-2H3
InChIKeyQACOECHXMHKCKM-UHFFFAOYSA-N
XLogP2.13
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-5-methylsulfonyl-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methylsulfonyl-1H-indole?
The IUPAC name of 2-ethyl-5-methylsulfonyl-1H-indole (CID 139760314) is 2-ethyl-5-methylsulfonyl-1H-indole.
What is the SMILES notation for 2-ethyl-5-methylsulfonyl-1H-indole?
The canonical SMILES for 2-ethyl-5-methylsulfonyl-1H-indole is CCc1cc2cc(S(C)(=O)=O)ccc2[nH]1.
What is the InChIKey of 2-ethyl-5-methylsulfonyl-1H-indole?
The InChIKey is QACOECHXMHKCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-3-9-6-8-7-10(15(2,13)14)4-5-11(8)12-9/h4-7,12H,3H2,1-2H3.
What are the key properties of 2-ethyl-5-methylsulfonyl-1H-indole?
2-ethyl-5-methylsulfonyl-1H-indole has a molecular weight of 223.30 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methylsulfonyl-1H-indole is sourced from PubChem (CID 139760314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).