2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-ethyl-N-methylethanamine

C19H22N2O2S — CID 24860961

IUPAC2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-ethyl-N-methylethanamine
SMILESCCN(C)CCc1ccc2[nH]cc(S(=O)(=O)c3ccccc3)c2c1
InChIInChI=1S/C19H22N2O2S/c1-3-21(2)12-11-15-9-10-18-17(13-15)19(14-20-18)24(22,23)16-7-5-4-6-8-16/h4-10,13-14,20H,3,11-12H2,1-2H3
InChIKeyBTVODQSCRZBWKN-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.49
Rot. Bonds6

About 2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-ethyl-N-methylethanamine

2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-ethyl-N-methylethanamine (PubChem CID 24860961) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-ethyl-N-methylethanamine.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-ethyl-N-methylethanamine
PubChem CID24860961
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-ethyl-N-methylethanamine
SMILESCCN(C)CCc1ccc2[nH]cc(S(=O)(=O)c3ccccc3)c2c1
InChIInChI=1S/C19H22N2O2S/c1-3-21(2)12-11-15-9-10-18-17(13-15)19(14-20-18)24(22,23)16-7-5-4-6-8-16/h4-10,13-14,20H,3,11-12H2,1-2H3
InChIKeyBTVODQSCRZBWKN-UHFFFAOYSA-N
XLogP3.49
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-ethyl-N-methylethanamine 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-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-ethyl-N-methylethanamine?
The IUPAC name of 2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-ethyl-N-methylethanamine (CID 24860961) is 2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-ethyl-N-methylethanamine.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-ethyl-N-methylethanamine?
The canonical SMILES for 2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-ethyl-N-methylethanamine is CCN(C)CCc1ccc2[nH]cc(S(=O)(=O)c3ccccc3)c2c1.
What is the InChIKey of 2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-ethyl-N-methylethanamine?
The InChIKey is BTVODQSCRZBWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-3-21(2)12-11-15-9-10-18-17(13-15)19(14-20-18)24(22,23)16-7-5-4-6-8-16/h4-10,13-14,20H,3,11-12H2,1-2H3.
What are the key properties of 2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-ethyl-N-methylethanamine?
2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-ethyl-N-methylethanamine has a molecular weight of 342.46 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-ethyl-N-methylethanamine is sourced from PubChem (CID 24860961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).