4-[2-(4-chlorophenyl)sulfonylethyl]morpholine

C12H16ClNO3S — CID 2818796

IUPAC4-[2-(4-chlorophenyl)sulfonylethyl]morpholine
SMILESO=S(=O)(CCN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO3S/c13-11-1-3-12(4-2-11)18(15,16)10-7-14-5-8-17-9-6-14/h1-4H,5-10H2
InChIKeyOASLHYGUAWCWEL-UHFFFAOYSA-N
MW289.78 g/mol
LogP1.45
Rot. Bonds4

About 4-[2-(4-chlorophenyl)sulfonylethyl]morpholine

4-[2-(4-chlorophenyl)sulfonylethyl]morpholine (PubChem CID 2818796) has the molecular formula C12H16ClNO3S and a molecular weight of 289.78 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)sulfonylethyl]morpholine.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)sulfonylethyl]morpholine
PubChem CID2818796
Molecular FormulaC12H16ClNO3S
Molecular Weight289.78 g/mol
Exact Mass289.05
IUPAC Name4-[2-(4-chlorophenyl)sulfonylethyl]morpholine
SMILESO=S(=O)(CCN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO3S/c13-11-1-3-12(4-2-11)18(15,16)10-7-14-5-8-17-9-6-14/h1-4H,5-10H2
InChIKeyOASLHYGUAWCWEL-UHFFFAOYSA-N
XLogP1.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)sulfonylethyl]morpholine?
The IUPAC name of 4-[2-(4-chlorophenyl)sulfonylethyl]morpholine (CID 2818796) is 4-[2-(4-chlorophenyl)sulfonylethyl]morpholine.
What is the SMILES notation for 4-[2-(4-chlorophenyl)sulfonylethyl]morpholine?
The canonical SMILES for 4-[2-(4-chlorophenyl)sulfonylethyl]morpholine is O=S(=O)(CCN1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)sulfonylethyl]morpholine?
The InChIKey is OASLHYGUAWCWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3S/c13-11-1-3-12(4-2-11)18(15,16)10-7-14-5-8-17-9-6-14/h1-4H,5-10H2.
What are the key properties of 4-[2-(4-chlorophenyl)sulfonylethyl]morpholine?
4-[2-(4-chlorophenyl)sulfonylethyl]morpholine has a molecular weight of 289.78 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)sulfonylethyl]morpholine is sourced from PubChem (CID 2818796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).