4-[3-(benzenesulfonyl)propyl]-2-(4-fluorophenyl)morpholine

C19H22FNO3S — CID 55826138

IUPAC4-[3-(benzenesulfonyl)propyl]-2-(4-fluorophenyl)morpholine
SMILESO=S(=O)(CCCN1CCOC(c2ccc(F)cc2)C1)c1ccccc1
InChIInChI=1S/C19H22FNO3S/c20-17-9-7-16(8-10-17)19-15-21(12-13-24-19)11-4-14-25(22,23)18-5-2-1-3-6-18/h1-3,5-10,19H,4,11-15H2
InChIKeyUELFYDHSZYBPLA-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.06
Rot. Bonds6

About 4-[3-(benzenesulfonyl)propyl]-2-(4-fluorophenyl)morpholine

4-[3-(benzenesulfonyl)propyl]-2-(4-fluorophenyl)morpholine (PubChem CID 55826138) has the molecular formula C19H22FNO3S and a molecular weight of 363.45 g/mol. Its IUPAC name is 4-[3-(benzenesulfonyl)propyl]-2-(4-fluorophenyl)morpholine.

Molecular Properties

Compound Name4-[3-(benzenesulfonyl)propyl]-2-(4-fluorophenyl)morpholine
PubChem CID55826138
Molecular FormulaC19H22FNO3S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC Name4-[3-(benzenesulfonyl)propyl]-2-(4-fluorophenyl)morpholine
SMILESO=S(=O)(CCCN1CCOC(c2ccc(F)cc2)C1)c1ccccc1
InChIInChI=1S/C19H22FNO3S/c20-17-9-7-16(8-10-17)19-15-21(12-13-24-19)11-4-14-25(22,23)18-5-2-1-3-6-18/h1-3,5-10,19H,4,11-15H2
InChIKeyUELFYDHSZYBPLA-UHFFFAOYSA-N
XLogP3.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(benzenesulfonyl)propyl]-2-(4-fluorophenyl)morpholine?
The IUPAC name of 4-[3-(benzenesulfonyl)propyl]-2-(4-fluorophenyl)morpholine (CID 55826138) is 4-[3-(benzenesulfonyl)propyl]-2-(4-fluorophenyl)morpholine.
What is the SMILES notation for 4-[3-(benzenesulfonyl)propyl]-2-(4-fluorophenyl)morpholine?
The canonical SMILES for 4-[3-(benzenesulfonyl)propyl]-2-(4-fluorophenyl)morpholine is O=S(=O)(CCCN1CCOC(c2ccc(F)cc2)C1)c1ccccc1.
What is the InChIKey of 4-[3-(benzenesulfonyl)propyl]-2-(4-fluorophenyl)morpholine?
The InChIKey is UELFYDHSZYBPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3S/c20-17-9-7-16(8-10-17)19-15-21(12-13-24-19)11-4-14-25(22,23)18-5-2-1-3-6-18/h1-3,5-10,19H,4,11-15H2.
What are the key properties of 4-[3-(benzenesulfonyl)propyl]-2-(4-fluorophenyl)morpholine?
4-[3-(benzenesulfonyl)propyl]-2-(4-fluorophenyl)morpholine has a molecular weight of 363.45 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(benzenesulfonyl)propyl]-2-(4-fluorophenyl)morpholine is sourced from PubChem (CID 55826138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).