2-(4-fluorophenyl)-4-(3-phenylpropylsulfonyl)morpholine

C19H22FNO3S — CID 110326810

IUPAC2-(4-fluorophenyl)-4-(3-phenylpropylsulfonyl)morpholine
SMILESO=S(=O)(CCCc1ccccc1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C19H22FNO3S/c20-18-10-8-17(9-11-18)19-15-21(12-13-24-19)25(22,23)14-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11,19H,4,7,12-15H2
InChIKeyIBMQKXDYJQHPJD-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.16
Rot. Bonds6

About 2-(4-fluorophenyl)-4-(3-phenylpropylsulfonyl)morpholine

2-(4-fluorophenyl)-4-(3-phenylpropylsulfonyl)morpholine (PubChem CID 110326810) has the molecular formula C19H22FNO3S and a molecular weight of 363.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(3-phenylpropylsulfonyl)morpholine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(3-phenylpropylsulfonyl)morpholine
PubChem CID110326810
Molecular FormulaC19H22FNO3S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC Name2-(4-fluorophenyl)-4-(3-phenylpropylsulfonyl)morpholine
SMILESO=S(=O)(CCCc1ccccc1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C19H22FNO3S/c20-18-10-8-17(9-11-18)19-15-21(12-13-24-19)25(22,23)14-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11,19H,4,7,12-15H2
InChIKeyIBMQKXDYJQHPJD-UHFFFAOYSA-N
XLogP3.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-4-(3-phenylpropylsulfonyl)morpholine
CID 110326607
2-(4-ethylphenyl)-4-(3-phenylpropylsulfonyl)morpholine
CID 110364078
4-[(4-fluorophenyl)methylsulfonyl]-2-phenylmorpholine
CID 16895302
2-(3,5-dichlorophenyl)-4-(2-phenylethylsulfonyl)morpholine
CID 121134610
4-benzylsulfonyl-2-(4-bromophenyl)morpholine
CID 47958795
4-(3-phenylpropylsulfonyl)morpholine
CID 560201
4-[(3,4-dichlorophenyl)methylsulfonyl]-2-(4-fluorophenyl)morpholine
CID 56581847
(2S)-4-[3-(4-fluorophenyl)sulfonylpropyl]-2-phenylmorpholine
CID 95048529
(2R)-2-methyl-4-(2-phenylethylsulfonyl)morpholine
CID 51710241
4-butylsulfonyl-2-(2-fluorophenyl)morpholine
CID 110326692
2-benzyl-4-(2-phenylethylsulfonyl)morpholine
CID 110643972
4-[2-(4-methoxyphenyl)ethylsulfonyl]-2-(4-methylphenyl)morpholine
CID 121134912

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-(3-phenylpropylsulfonyl)morpholine?
The IUPAC name of 2-(4-fluorophenyl)-4-(3-phenylpropylsulfonyl)morpholine (CID 110326810) is 2-(4-fluorophenyl)-4-(3-phenylpropylsulfonyl)morpholine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(3-phenylpropylsulfonyl)morpholine?
The canonical SMILES for 2-(4-fluorophenyl)-4-(3-phenylpropylsulfonyl)morpholine is O=S(=O)(CCCc1ccccc1)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-4-(3-phenylpropylsulfonyl)morpholine?
The InChIKey is IBMQKXDYJQHPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3S/c20-18-10-8-17(9-11-18)19-15-21(12-13-24-19)25(22,23)14-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11,19H,4,7,12-15H2.
What are the key properties of 2-(4-fluorophenyl)-4-(3-phenylpropylsulfonyl)morpholine?
2-(4-fluorophenyl)-4-(3-phenylpropylsulfonyl)morpholine has a molecular weight of 363.45 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-(3-phenylpropylsulfonyl)morpholine is sourced from PubChem (CID 110326810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).