2-[1-(benzenesulfonyl)indol-4-yl]oxyethanamine

C16H16N2O3S — CID 10267837

IUPAC2-[1-(benzenesulfonyl)indol-4-yl]oxyethanamine
SMILESNCCOc1cccc2c1ccn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16N2O3S/c17-10-12-21-16-8-4-7-15-14(16)9-11-18(15)22(19,20)13-5-2-1-3-6-13/h1-9,11H,10,12,17H2
InChIKeyQCDGAAZKPYXOQQ-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.22
Rot. Bonds5

About 2-[1-(benzenesulfonyl)indol-4-yl]oxyethanamine

2-[1-(benzenesulfonyl)indol-4-yl]oxyethanamine (PubChem CID 10267837) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)indol-4-yl]oxyethanamine.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)indol-4-yl]oxyethanamine
PubChem CID10267837
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name2-[1-(benzenesulfonyl)indol-4-yl]oxyethanamine
SMILESNCCOc1cccc2c1ccn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16N2O3S/c17-10-12-21-16-8-4-7-15-14(16)9-11-18(15)22(19,20)13-5-2-1-3-6-13/h1-9,11H,10,12,17H2
InChIKeyQCDGAAZKPYXOQQ-UHFFFAOYSA-N
XLogP2.22
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)indol-4-yl]oxyethanamine?
The IUPAC name of 2-[1-(benzenesulfonyl)indol-4-yl]oxyethanamine (CID 10267837) is 2-[1-(benzenesulfonyl)indol-4-yl]oxyethanamine.
What is the SMILES notation for 2-[1-(benzenesulfonyl)indol-4-yl]oxyethanamine?
The canonical SMILES for 2-[1-(benzenesulfonyl)indol-4-yl]oxyethanamine is NCCOc1cccc2c1ccn2S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[1-(benzenesulfonyl)indol-4-yl]oxyethanamine?
The InChIKey is QCDGAAZKPYXOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c17-10-12-21-16-8-4-7-15-14(16)9-11-18(15)22(19,20)13-5-2-1-3-6-13/h1-9,11H,10,12,17H2.
What are the key properties of 2-[1-(benzenesulfonyl)indol-4-yl]oxyethanamine?
2-[1-(benzenesulfonyl)indol-4-yl]oxyethanamine has a molecular weight of 316.38 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)indol-4-yl]oxyethanamine is sourced from PubChem (CID 10267837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).