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

C16H16N2O2S — CID 21071574

IUPAC2-[1-(benzenesulfonyl)indol-3-yl]ethanamine
SMILESNCCc1cn(S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C16H16N2O2S/c17-11-10-13-12-18(16-9-5-4-8-15(13)16)21(19,20)14-6-2-1-3-7-14/h1-9,12H,10-11,17H2
InChIKeyGSOZASAZEKGFMK-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.38
Rot. Bonds4

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

2-[1-(benzenesulfonyl)indol-3-yl]ethanamine (PubChem CID 21071574) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)indol-3-yl]ethanamine
PubChem CID21071574
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name2-[1-(benzenesulfonyl)indol-3-yl]ethanamine
SMILESNCCc1cn(S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C16H16N2O2S/c17-11-10-13-12-18(16-9-5-4-8-15(13)16)21(19,20)14-6-2-1-3-7-14/h1-9,12H,10-11,17H2
InChIKeyGSOZASAZEKGFMK-UHFFFAOYSA-N
XLogP2.38
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Vonoprazan
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Eletriptan Hydrobromide
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N-[[4-(4-fluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide
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N-Methyl-3-(((2R)-1-methyl-2-pyrrolidinyl)methyl)-1H-indole-5-methanesulfonamide
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CID 2737722
1-(Phenylsulfonyl)-1H-indole
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Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)indol-3-yl]ethanamine?
The IUPAC name of 2-[1-(benzenesulfonyl)indol-3-yl]ethanamine (CID 21071574) is 2-[1-(benzenesulfonyl)indol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(benzenesulfonyl)indol-3-yl]ethanamine?
The canonical SMILES for 2-[1-(benzenesulfonyl)indol-3-yl]ethanamine is NCCc1cn(S(=O)(=O)c2ccccc2)c2ccccc12.
What is the InChIKey of 2-[1-(benzenesulfonyl)indol-3-yl]ethanamine?
The InChIKey is GSOZASAZEKGFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c17-11-10-13-12-18(16-9-5-4-8-15(13)16)21(19,20)14-6-2-1-3-7-14/h1-9,12H,10-11,17H2.
What are the key properties of 2-[1-(benzenesulfonyl)indol-3-yl]ethanamine?
2-[1-(benzenesulfonyl)indol-3-yl]ethanamine has a molecular weight of 300.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)indol-3-yl]ethanamine is sourced from PubChem (CID 21071574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).