4-ethylsulfonyl-3-(4-fluorophenyl)morpholine

C12H16FNO3S — CID 110663881

IUPAC4-ethylsulfonyl-3-(4-fluorophenyl)morpholine
SMILESCCS(=O)(=O)N1CCOCC1c1ccc(F)cc1
InChIInChI=1S/C12H16FNO3S/c1-2-18(15,16)14-7-8-17-9-12(14)10-3-5-11(13)6-4-10/h3-6,12H,2,7-9H2,1H3
InChIKeyHVYYQMBMTLGJPN-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.55
Rot. Bonds3

About 4-ethylsulfonyl-3-(4-fluorophenyl)morpholine

4-ethylsulfonyl-3-(4-fluorophenyl)morpholine (PubChem CID 110663881) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-ethylsulfonyl-3-(4-fluorophenyl)morpholine.

Molecular Properties

Compound Name4-ethylsulfonyl-3-(4-fluorophenyl)morpholine
PubChem CID110663881
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name4-ethylsulfonyl-3-(4-fluorophenyl)morpholine
SMILESCCS(=O)(=O)N1CCOCC1c1ccc(F)cc1
InChIInChI=1S/C12H16FNO3S/c1-2-18(15,16)14-7-8-17-9-12(14)10-3-5-11(13)6-4-10/h3-6,12H,2,7-9H2,1H3
InChIKeyHVYYQMBMTLGJPN-UHFFFAOYSA-N
XLogP1.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-3-(4-fluorophenyl)morpholine?
The IUPAC name of 4-ethylsulfonyl-3-(4-fluorophenyl)morpholine (CID 110663881) is 4-ethylsulfonyl-3-(4-fluorophenyl)morpholine.
What is the SMILES notation for 4-ethylsulfonyl-3-(4-fluorophenyl)morpholine?
The canonical SMILES for 4-ethylsulfonyl-3-(4-fluorophenyl)morpholine is CCS(=O)(=O)N1CCOCC1c1ccc(F)cc1.
What is the InChIKey of 4-ethylsulfonyl-3-(4-fluorophenyl)morpholine?
The InChIKey is HVYYQMBMTLGJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c1-2-18(15,16)14-7-8-17-9-12(14)10-3-5-11(13)6-4-10/h3-6,12H,2,7-9H2,1H3.
What are the key properties of 4-ethylsulfonyl-3-(4-fluorophenyl)morpholine?
4-ethylsulfonyl-3-(4-fluorophenyl)morpholine has a molecular weight of 273.33 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-3-(4-fluorophenyl)morpholine is sourced from PubChem (CID 110663881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).