(2S)-4-[3-(4-fluorophenyl)sulfonylpropyl]-2-phenylmorpholine

C19H22FNO3S — CID 95048529

IUPAC(2S)-4-[3-(4-fluorophenyl)sulfonylpropyl]-2-phenylmorpholine
SMILESO=S(=O)(CCCN1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1
InChIInChI=1S/C19H22FNO3S/c20-17-7-9-18(10-8-17)25(22,23)14-4-11-21-12-13-24-19(15-21)16-5-2-1-3-6-16/h1-3,5-10,19H,4,11-15H2/t19-/m1/s1
InChIKeyYHFLBBKJYVJRLM-LJQANCHMSA-N
MW363.45 g/mol
LogP3.06
Rot. Bonds6

About (2S)-4-[3-(4-fluorophenyl)sulfonylpropyl]-2-phenylmorpholine

(2S)-4-[3-(4-fluorophenyl)sulfonylpropyl]-2-phenylmorpholine (PubChem CID 95048529) has the molecular formula C19H22FNO3S and a molecular weight of 363.45 g/mol. Its IUPAC name is (2S)-4-[3-(4-fluorophenyl)sulfonylpropyl]-2-phenylmorpholine.

Molecular Properties

Compound Name(2S)-4-[3-(4-fluorophenyl)sulfonylpropyl]-2-phenylmorpholine
PubChem CID95048529
Molecular FormulaC19H22FNO3S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC Name(2S)-4-[3-(4-fluorophenyl)sulfonylpropyl]-2-phenylmorpholine
SMILESO=S(=O)(CCCN1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1
InChIInChI=1S/C19H22FNO3S/c20-17-7-9-18(10-8-17)25(22,23)14-4-11-21-12-13-24-19(15-21)16-5-2-1-3-6-16/h1-3,5-10,19H,4,11-15H2/t19-/m1/s1
InChIKeyYHFLBBKJYVJRLM-LJQANCHMSA-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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Related Compounds

1-(4-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]methanesulfonamide
CID 16892839
1-(4-fluorophenyl)-4-(2-phenylmorpholin-4-yl)butan-1-one
CID 2893561
N'-[(4-fluorophenyl)methyl]-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]oxamide
CID 27557780
1-(3-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]methanesulfonamide
CID 16892838
2,5-difluoro-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide
CID 51866623
2,4-difluoro-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide
CID 51866734
4-fluoro-3-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
CID 16892809
4-tert-butyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
CID 16892762
N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]naphthalene-2-sulfonamide
CID 30851092
2-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethyl]isoindole-1,3-dione
CID 36737030
N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 51866575
4-[(2S)-2-(3-fluorophenyl)morpholin-4-yl]butanoic acid
CID 124606773

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[3-(4-fluorophenyl)sulfonylpropyl]-2-phenylmorpholine?
The IUPAC name of (2S)-4-[3-(4-fluorophenyl)sulfonylpropyl]-2-phenylmorpholine (CID 95048529) is (2S)-4-[3-(4-fluorophenyl)sulfonylpropyl]-2-phenylmorpholine.
What is the SMILES notation for (2S)-4-[3-(4-fluorophenyl)sulfonylpropyl]-2-phenylmorpholine?
The canonical SMILES for (2S)-4-[3-(4-fluorophenyl)sulfonylpropyl]-2-phenylmorpholine is O=S(=O)(CCCN1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1.
What is the InChIKey of (2S)-4-[3-(4-fluorophenyl)sulfonylpropyl]-2-phenylmorpholine?
The InChIKey is YHFLBBKJYVJRLM-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22FNO3S/c20-17-7-9-18(10-8-17)25(22,23)14-4-11-21-12-13-24-19(15-21)16-5-2-1-3-6-16/h1-3,5-10,19H,4,11-15H2/t19-/m1/s1.
What are the key properties of (2S)-4-[3-(4-fluorophenyl)sulfonylpropyl]-2-phenylmorpholine?
(2S)-4-[3-(4-fluorophenyl)sulfonylpropyl]-2-phenylmorpholine 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 (2S)-4-[3-(4-fluorophenyl)sulfonylpropyl]-2-phenylmorpholine is sourced from PubChem (CID 95048529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).