2-[3-(benzenesulfonyl)-1H-indol-4-yl]ethanamine

C16H16N2O2S — CID 24861406

IUPAC2-[3-(benzenesulfonyl)-1H-indol-4-yl]ethanamine
SMILESNCCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c12
InChIInChI=1S/C16H16N2O2S/c17-10-9-12-5-4-8-14-16(12)15(11-18-14)21(19,20)13-6-2-1-3-7-13/h1-8,11,18H,9-10,17H2
InChIKeyRSVUNKKDIROCQS-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.50
Rot. Bonds4

About 2-[3-(benzenesulfonyl)-1H-indol-4-yl]ethanamine

2-[3-(benzenesulfonyl)-1H-indol-4-yl]ethanamine (PubChem CID 24861406) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-1H-indol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-1H-indol-4-yl]ethanamine
PubChem CID24861406
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name2-[3-(benzenesulfonyl)-1H-indol-4-yl]ethanamine
SMILESNCCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c12
InChIInChI=1S/C16H16N2O2S/c17-10-9-12-5-4-8-14-16(12)15(11-18-14)21(19,20)13-6-2-1-3-7-13/h1-8,11,18H,9-10,17H2
InChIKeyRSVUNKKDIROCQS-UHFFFAOYSA-N
XLogP2.50
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-(benzenesulfonyl)-1H-indol-4-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-[3-(benzenesulfonyl)-1H-indol-4-yl]ethanamine?
The IUPAC name of 2-[3-(benzenesulfonyl)-1H-indol-4-yl]ethanamine (CID 24861406) is 2-[3-(benzenesulfonyl)-1H-indol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-1H-indol-4-yl]ethanamine?
The canonical SMILES for 2-[3-(benzenesulfonyl)-1H-indol-4-yl]ethanamine is NCCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c12.
What is the InChIKey of 2-[3-(benzenesulfonyl)-1H-indol-4-yl]ethanamine?
The InChIKey is RSVUNKKDIROCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c17-10-9-12-5-4-8-14-16(12)15(11-18-14)21(19,20)13-6-2-1-3-7-13/h1-8,11,18H,9-10,17H2.
What are the key properties of 2-[3-(benzenesulfonyl)-1H-indol-4-yl]ethanamine?
2-[3-(benzenesulfonyl)-1H-indol-4-yl]ethanamine has a molecular weight of 300.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)-1H-indol-4-yl]ethanamine is sourced from PubChem (CID 24861406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).