4-[2-[1-(benzenesulfonyl)indol-4-yl]oxyethyl]morpholine

C20H22N2O4S — CID 10178221

IUPAC4-[2-[1-(benzenesulfonyl)indol-4-yl]oxyethyl]morpholine
SMILESO=S(=O)(c1ccccc1)n1ccc2c(OCCN3CCOCC3)cccc21
InChIInChI=1S/C20H22N2O4S/c23-27(24,17-5-2-1-3-6-17)22-10-9-18-19(22)7-4-8-20(18)26-16-13-21-11-14-25-15-12-21/h1-10H,11-16H2
InChIKeyILMZYPJUTGVIBA-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.59
Rot. Bonds6

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

4-[2-[1-(benzenesulfonyl)indol-4-yl]oxyethyl]morpholine (PubChem CID 10178221) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 4-[2-[1-(benzenesulfonyl)indol-4-yl]oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-[1-(benzenesulfonyl)indol-4-yl]oxyethyl]morpholine
PubChem CID10178221
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name4-[2-[1-(benzenesulfonyl)indol-4-yl]oxyethyl]morpholine
SMILESO=S(=O)(c1ccccc1)n1ccc2c(OCCN3CCOCC3)cccc21
InChIInChI=1S/C20H22N2O4S/c23-27(24,17-5-2-1-3-6-17)22-10-9-18-19(22)7-4-8-20(18)26-16-13-21-11-14-25-15-12-21/h1-10H,11-16H2
InChIKeyILMZYPJUTGVIBA-UHFFFAOYSA-N
XLogP2.59
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(benzenesulfonyl)indol-4-yl]oxyethyl]morpholine?
The IUPAC name of 4-[2-[1-(benzenesulfonyl)indol-4-yl]oxyethyl]morpholine (CID 10178221) is 4-[2-[1-(benzenesulfonyl)indol-4-yl]oxyethyl]morpholine.
What is the SMILES notation for 4-[2-[1-(benzenesulfonyl)indol-4-yl]oxyethyl]morpholine?
The canonical SMILES for 4-[2-[1-(benzenesulfonyl)indol-4-yl]oxyethyl]morpholine is O=S(=O)(c1ccccc1)n1ccc2c(OCCN3CCOCC3)cccc21.
What is the InChIKey of 4-[2-[1-(benzenesulfonyl)indol-4-yl]oxyethyl]morpholine?
The InChIKey is ILMZYPJUTGVIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c23-27(24,17-5-2-1-3-6-17)22-10-9-18-19(22)7-4-8-20(18)26-16-13-21-11-14-25-15-12-21/h1-10H,11-16H2.
What are the key properties of 4-[2-[1-(benzenesulfonyl)indol-4-yl]oxyethyl]morpholine?
4-[2-[1-(benzenesulfonyl)indol-4-yl]oxyethyl]morpholine has a molecular weight of 386.47 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(benzenesulfonyl)indol-4-yl]oxyethyl]morpholine is sourced from PubChem (CID 10178221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).