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

C16H16N2O2S — CID 10017687

IUPAC2-[3-(benzenesulfonyl)indol-1-yl]ethanamine
SMILESNCCn1cc(S(=O)(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C16H16N2O2S/c17-10-11-18-12-16(14-8-4-5-9-15(14)18)21(19,20)13-6-2-1-3-7-13/h1-9,12H,10-11,17H2
InChIKeyAIHYRVVMMSIZRM-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.43
Rot. Bonds4

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

2-[3-(benzenesulfonyl)indol-1-yl]ethanamine (PubChem CID 10017687) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)indol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)indol-1-yl]ethanamine
PubChem CID10017687
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name2-[3-(benzenesulfonyl)indol-1-yl]ethanamine
SMILESNCCn1cc(S(=O)(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C16H16N2O2S/c17-10-11-18-12-16(14-8-4-5-9-15(14)18)21(19,20)13-6-2-1-3-7-13/h1-9,12H,10-11,17H2
InChIKeyAIHYRVVMMSIZRM-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)indol-1-yl]ethanamine?
The IUPAC name of 2-[3-(benzenesulfonyl)indol-1-yl]ethanamine (CID 10017687) is 2-[3-(benzenesulfonyl)indol-1-yl]ethanamine.
What is the SMILES notation for 2-[3-(benzenesulfonyl)indol-1-yl]ethanamine?
The canonical SMILES for 2-[3-(benzenesulfonyl)indol-1-yl]ethanamine is NCCn1cc(S(=O)(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of 2-[3-(benzenesulfonyl)indol-1-yl]ethanamine?
The InChIKey is AIHYRVVMMSIZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c17-10-11-18-12-16(14-8-4-5-9-15(14)18)21(19,20)13-6-2-1-3-7-13/h1-9,12H,10-11,17H2.
What are the key properties of 2-[3-(benzenesulfonyl)indol-1-yl]ethanamine?
2-[3-(benzenesulfonyl)indol-1-yl]ethanamine has a molecular weight of 300.38 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)indol-1-yl]ethanamine is sourced from PubChem (CID 10017687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).