2-benzyl-4-[(4-fluorophenyl)methylsulfonyl]-5-methylmorpholine

C19H22FNO3S — CID 110644096

IUPAC2-benzyl-4-[(4-fluorophenyl)methylsulfonyl]-5-methylmorpholine
SMILESCC1COC(Cc2ccccc2)CN1S(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C19H22FNO3S/c1-15-13-24-19(11-16-5-3-2-4-6-16)12-21(15)25(22,23)14-17-7-9-18(20)10-8-17/h2-10,15,19H,11-14H2,1H3
InChIKeyZUHUDFCQTLTASK-UHFFFAOYSA-N
MW363.45 g/mol
LogP2.99
Rot. Bonds5

About 2-benzyl-4-[(4-fluorophenyl)methylsulfonyl]-5-methylmorpholine

2-benzyl-4-[(4-fluorophenyl)methylsulfonyl]-5-methylmorpholine (PubChem CID 110644096) has the molecular formula C19H22FNO3S and a molecular weight of 363.45 g/mol. Its IUPAC name is 2-benzyl-4-[(4-fluorophenyl)methylsulfonyl]-5-methylmorpholine.

Molecular Properties

Compound Name2-benzyl-4-[(4-fluorophenyl)methylsulfonyl]-5-methylmorpholine
PubChem CID110644096
Molecular FormulaC19H22FNO3S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC Name2-benzyl-4-[(4-fluorophenyl)methylsulfonyl]-5-methylmorpholine
SMILESCC1COC(Cc2ccccc2)CN1S(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C19H22FNO3S/c1-15-13-24-19(11-16-5-3-2-4-6-16)12-21(15)25(22,23)14-17-7-9-18(20)10-8-17/h2-10,15,19H,11-14H2,1H3
InChIKeyZUHUDFCQTLTASK-UHFFFAOYSA-N
XLogP2.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-4-benzylsulfonyl-5-methylmorpholine
CID 110644092
4-(benzenesulfonyl)-2-benzyl-5-methylmorpholine
CID 110644067
4-benzylsulfonyl-5-methyl-2-phenylmorpholine
CID 110369410
2-benzyl-5-methyl-4-(2-methylphenyl)sulfonylmorpholine
CID 110644108
2-(2-benzyl-5-methylmorpholin-4-yl)sulfonylbenzonitrile
CID 110644115
2-benzyl-4-(4-ethoxyphenyl)sulfonyl-5-methylmorpholine
CID 110644106
5-methyl-4-[(3-methylphenyl)methylsulfonyl]-2-phenylmorpholine
CID 110369412
N-[4-(2-benzyl-5-methylmorpholin-4-yl)sulfonylphenyl]acetamide
CID 110644099
1-(2-benzyl-5-methylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone
CID 110706983
4-[(2,5-dimethylmorpholin-4-yl)sulfonylmethyl]aniline
CID 43544294
2-benzyl-4-(4-methoxy-2-methylphenyl)sulfonyl-5-methylmorpholine
CID 110644079
1-benzylsulfonyl-2-methyl-4-phenylpyrrolidine
CID 110868673

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-[(4-fluorophenyl)methylsulfonyl]-5-methylmorpholine?
The IUPAC name of 2-benzyl-4-[(4-fluorophenyl)methylsulfonyl]-5-methylmorpholine (CID 110644096) is 2-benzyl-4-[(4-fluorophenyl)methylsulfonyl]-5-methylmorpholine.
What is the SMILES notation for 2-benzyl-4-[(4-fluorophenyl)methylsulfonyl]-5-methylmorpholine?
The canonical SMILES for 2-benzyl-4-[(4-fluorophenyl)methylsulfonyl]-5-methylmorpholine is CC1COC(Cc2ccccc2)CN1S(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-benzyl-4-[(4-fluorophenyl)methylsulfonyl]-5-methylmorpholine?
The InChIKey is ZUHUDFCQTLTASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3S/c1-15-13-24-19(11-16-5-3-2-4-6-16)12-21(15)25(22,23)14-17-7-9-18(20)10-8-17/h2-10,15,19H,11-14H2,1H3.
What are the key properties of 2-benzyl-4-[(4-fluorophenyl)methylsulfonyl]-5-methylmorpholine?
2-benzyl-4-[(4-fluorophenyl)methylsulfonyl]-5-methylmorpholine has a molecular weight of 363.45 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-[(4-fluorophenyl)methylsulfonyl]-5-methylmorpholine is sourced from PubChem (CID 110644096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).