2-[3-(benzenesulfonyl)-1H-indol-4-yl]-N-ethyl-N-methylethanamine

C19H22N2O2S — CID 24861246

IUPAC2-[3-(benzenesulfonyl)-1H-indol-4-yl]-N-ethyl-N-methylethanamine
SMILESCCN(C)CCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c12
InChIInChI=1S/C19H22N2O2S/c1-3-21(2)13-12-15-8-7-11-17-19(15)18(14-20-17)24(22,23)16-9-5-4-6-10-16/h4-11,14,20H,3,12-13H2,1-2H3
InChIKeyXTGQHXCVZRGUAO-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.49
Rot. Bonds6

About 2-[3-(benzenesulfonyl)-1H-indol-4-yl]-N-ethyl-N-methylethanamine

2-[3-(benzenesulfonyl)-1H-indol-4-yl]-N-ethyl-N-methylethanamine (PubChem CID 24861246) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-1H-indol-4-yl]-N-ethyl-N-methylethanamine.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-1H-indol-4-yl]-N-ethyl-N-methylethanamine
PubChem CID24861246
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name2-[3-(benzenesulfonyl)-1H-indol-4-yl]-N-ethyl-N-methylethanamine
SMILESCCN(C)CCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c12
InChIInChI=1S/C19H22N2O2S/c1-3-21(2)13-12-15-8-7-11-17-19(15)18(14-20-17)24(22,23)16-9-5-4-6-10-16/h4-11,14,20H,3,12-13H2,1-2H3
InChIKeyXTGQHXCVZRGUAO-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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-1H-indol-4-yl]-N-ethyl-N-methylethanamine?
The IUPAC name of 2-[3-(benzenesulfonyl)-1H-indol-4-yl]-N-ethyl-N-methylethanamine (CID 24861246) is 2-[3-(benzenesulfonyl)-1H-indol-4-yl]-N-ethyl-N-methylethanamine.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-1H-indol-4-yl]-N-ethyl-N-methylethanamine?
The canonical SMILES for 2-[3-(benzenesulfonyl)-1H-indol-4-yl]-N-ethyl-N-methylethanamine is CCN(C)CCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c12.
What is the InChIKey of 2-[3-(benzenesulfonyl)-1H-indol-4-yl]-N-ethyl-N-methylethanamine?
The InChIKey is XTGQHXCVZRGUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-3-21(2)13-12-15-8-7-11-17-19(15)18(14-20-17)24(22,23)16-9-5-4-6-10-16/h4-11,14,20H,3,12-13H2,1-2H3.
What are the key properties of 2-[3-(benzenesulfonyl)-1H-indol-4-yl]-N-ethyl-N-methylethanamine?
2-[3-(benzenesulfonyl)-1H-indol-4-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-4-yl]-N-ethyl-N-methylethanamine is sourced from PubChem (CID 24861246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).