2-[[2-(benzenesulfonyl)-1H-indol-4-yl]oxy]-N-methylethanamine;hydrochloride

C17H19ClN2O3S — CID 69367839

IUPAC2-[[2-(benzenesulfonyl)-1H-indol-4-yl]oxy]-N-methylethanamine;hydrochloride
SMILESCNCCOc1cccc2[nH]c(S(=O)(=O)c3ccccc3)cc12.Cl
InChIInChI=1S/C17H18N2O3S.ClH/c1-18-10-11-22-16-9-5-8-15-14(16)12-17(19-15)23(20,21)13-6-3-2-4-7-13;/h2-9,12,18-19H,10-11H2,1H3;1H
InChIKeyZRRBQEPSVWGFRH-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.02
Rot. Bonds6

About 2-[[2-(benzenesulfonyl)-1H-indol-4-yl]oxy]-N-methylethanamine;hydrochloride

2-[[2-(benzenesulfonyl)-1H-indol-4-yl]oxy]-N-methylethanamine;hydrochloride (PubChem CID 69367839) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 2-[[2-(benzenesulfonyl)-1H-indol-4-yl]oxy]-N-methylethanamine;hydrochloride.

Molecular Properties

Compound Name2-[[2-(benzenesulfonyl)-1H-indol-4-yl]oxy]-N-methylethanamine;hydrochloride
PubChem CID69367839
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name2-[[2-(benzenesulfonyl)-1H-indol-4-yl]oxy]-N-methylethanamine;hydrochloride
SMILESCNCCOc1cccc2[nH]c(S(=O)(=O)c3ccccc3)cc12.Cl
InChIInChI=1S/C17H18N2O3S.ClH/c1-18-10-11-22-16-9-5-8-15-14(16)12-17(19-15)23(20,21)13-6-3-2-4-7-13;/h2-9,12,18-19H,10-11H2,1H3;1H
InChIKeyZRRBQEPSVWGFRH-UHFFFAOYSA-N
XLogP3.02
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[2-(benzenesulfonyl)-1H-indol-4-yl]oxy]-N-methylethanamine;hydrochloride 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-[[2-(benzenesulfonyl)-1H-indol-4-yl]oxy]-N-methylethanamine;hydrochloride?
The IUPAC name of 2-[[2-(benzenesulfonyl)-1H-indol-4-yl]oxy]-N-methylethanamine;hydrochloride (CID 69367839) is 2-[[2-(benzenesulfonyl)-1H-indol-4-yl]oxy]-N-methylethanamine;hydrochloride.
What is the SMILES notation for 2-[[2-(benzenesulfonyl)-1H-indol-4-yl]oxy]-N-methylethanamine;hydrochloride?
The canonical SMILES for 2-[[2-(benzenesulfonyl)-1H-indol-4-yl]oxy]-N-methylethanamine;hydrochloride is CNCCOc1cccc2[nH]c(S(=O)(=O)c3ccccc3)cc12.Cl.
What is the InChIKey of 2-[[2-(benzenesulfonyl)-1H-indol-4-yl]oxy]-N-methylethanamine;hydrochloride?
The InChIKey is ZRRBQEPSVWGFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S.ClH/c1-18-10-11-22-16-9-5-8-15-14(16)12-17(19-15)23(20,21)13-6-3-2-4-7-13;/h2-9,12,18-19H,10-11H2,1H3;1H.
What are the key properties of 2-[[2-(benzenesulfonyl)-1H-indol-4-yl]oxy]-N-methylethanamine;hydrochloride?
2-[[2-(benzenesulfonyl)-1H-indol-4-yl]oxy]-N-methylethanamine;hydrochloride has a molecular weight of 366.87 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzenesulfonyl)-1H-indol-4-yl]oxy]-N-methylethanamine;hydrochloride is sourced from PubChem (CID 69367839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).