4-[(4-fluorophenyl)methylsulfonyl]-2-phenylmorpholine

C17H18FNO3S — CID 16895302

IUPAC4-[(4-fluorophenyl)methylsulfonyl]-2-phenylmorpholine
SMILESO=S(=O)(Cc1ccc(F)cc1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C17H18FNO3S/c18-16-8-6-14(7-9-16)13-23(20,21)19-10-11-22-17(12-19)15-4-2-1-3-5-15/h1-9,17H,10-13H2
InChIKeyXCPBTLXBWMOASW-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.73
Rot. Bonds4

About 4-[(4-fluorophenyl)methylsulfonyl]-2-phenylmorpholine

4-[(4-fluorophenyl)methylsulfonyl]-2-phenylmorpholine (PubChem CID 16895302) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methylsulfonyl]-2-phenylmorpholine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methylsulfonyl]-2-phenylmorpholine
PubChem CID16895302
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC Name4-[(4-fluorophenyl)methylsulfonyl]-2-phenylmorpholine
SMILESO=S(=O)(Cc1ccc(F)cc1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C17H18FNO3S/c18-16-8-6-14(7-9-16)13-23(20,21)19-10-11-22-17(12-19)15-4-2-1-3-5-15/h1-9,17H,10-13H2
InChIKeyXCPBTLXBWMOASW-UHFFFAOYSA-N
XLogP2.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methoxyphenyl)methylsulfonyl]-2-phenylmorpholine
CID 16895307
4-[(3,4-dichlorophenyl)methylsulfonyl]-2-(4-fluorophenyl)morpholine
CID 56581847
4-benzylsulfonyl-2-(4-bromophenyl)morpholine
CID 47958795
2-(4-fluorophenyl)-4-(3-phenylpropylsulfonyl)morpholine
CID 110326810
1-(4-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]methanesulfonamide
CID 16892839
(2R)-4-benzylsulfonyl-2-pyrazin-2-ylmorpholine
CID 124960005
(2S)-4-benzylsulfonyl-2-pyrazin-2-ylmorpholine
CID 124960004
2-benzyl-4-benzylsulfonylmorpholine
CID 71801614
2-(4-ethylphenyl)-4-(3-phenylpropylsulfonyl)morpholine
CID 110364078
4-(benzenesulfonyl)-2-(4-ethylphenyl)morpholine
CID 110364047
(2S)-4-[3-(4-fluorophenyl)sulfonylpropyl]-2-phenylmorpholine
CID 95048529
2-(4-methylphenyl)-4-(3-phenylpropylsulfonyl)morpholine
CID 110326607

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methylsulfonyl]-2-phenylmorpholine?
The IUPAC name of 4-[(4-fluorophenyl)methylsulfonyl]-2-phenylmorpholine (CID 16895302) is 4-[(4-fluorophenyl)methylsulfonyl]-2-phenylmorpholine.
What is the SMILES notation for 4-[(4-fluorophenyl)methylsulfonyl]-2-phenylmorpholine?
The canonical SMILES for 4-[(4-fluorophenyl)methylsulfonyl]-2-phenylmorpholine is O=S(=O)(Cc1ccc(F)cc1)N1CCOC(c2ccccc2)C1.
What is the InChIKey of 4-[(4-fluorophenyl)methylsulfonyl]-2-phenylmorpholine?
The InChIKey is XCPBTLXBWMOASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3S/c18-16-8-6-14(7-9-16)13-23(20,21)19-10-11-22-17(12-19)15-4-2-1-3-5-15/h1-9,17H,10-13H2.
What are the key properties of 4-[(4-fluorophenyl)methylsulfonyl]-2-phenylmorpholine?
4-[(4-fluorophenyl)methylsulfonyl]-2-phenylmorpholine has a molecular weight of 335.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methylsulfonyl]-2-phenylmorpholine is sourced from PubChem (CID 16895302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).