2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]ethanamine

C17H18N2O3S — CID 10131565

IUPAC2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]ethanamine
SMILESCOc1ccc2c(c1)c(CCN)cn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18N2O3S/c1-22-14-7-8-17-16(11-14)13(9-10-18)12-19(17)23(20,21)15-5-3-2-4-6-15/h2-8,11-12H,9-10,18H2,1H3
InChIKeyKJOAWSBQNSIGLK-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.39
Rot. Bonds5

About 2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]ethanamine

2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]ethanamine (PubChem CID 10131565) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]ethanamine
PubChem CID10131565
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]ethanamine
SMILESCOc1ccc2c(c1)c(CCN)cn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18N2O3S/c1-22-14-7-8-17-16(11-14)13(9-10-18)12-19(17)23(20,21)15-5-3-2-4-6-15/h2-8,11-12H,9-10,18H2,1H3
InChIKeyKJOAWSBQNSIGLK-UHFFFAOYSA-N
XLogP2.39
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]ethanamine 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-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]ethanamine?
The IUPAC name of 2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]ethanamine (CID 10131565) is 2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]ethanamine?
The canonical SMILES for 2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]ethanamine is COc1ccc2c(c1)c(CCN)cn2S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]ethanamine?
The InChIKey is KJOAWSBQNSIGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-22-14-7-8-17-16(11-14)13(9-10-18)12-19(17)23(20,21)15-5-3-2-4-6-15/h2-8,11-12H,9-10,18H2,1H3.
What are the key properties of 2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]ethanamine?
2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]ethanamine has a molecular weight of 330.41 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]ethanamine is sourced from PubChem (CID 10131565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).