2-benzyl-4-(4-methoxyphenyl)sulfonylmorpholine

C18H21NO4S — CID 110643940

IUPAC2-benzyl-4-(4-methoxyphenyl)sulfonylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CCOC(Cc3ccccc3)C2)cc1
InChIInChI=1S/C18H21NO4S/c1-22-16-7-9-18(10-8-16)24(20,21)19-11-12-23-17(14-19)13-15-5-3-2-4-6-15/h2-10,17H,11-14H2,1H3
InChIKeyUELIDHRDGPKPRJ-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.33
Rot. Bonds5

About 2-benzyl-4-(4-methoxyphenyl)sulfonylmorpholine

2-benzyl-4-(4-methoxyphenyl)sulfonylmorpholine (PubChem CID 110643940) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-benzyl-4-(4-methoxyphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name2-benzyl-4-(4-methoxyphenyl)sulfonylmorpholine
PubChem CID110643940
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name2-benzyl-4-(4-methoxyphenyl)sulfonylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CCOC(Cc3ccccc3)C2)cc1
InChIInChI=1S/C18H21NO4S/c1-22-16-7-9-18(10-8-16)24(20,21)19-11-12-23-17(14-19)13-15-5-3-2-4-6-15/h2-10,17H,11-14H2,1H3
InChIKeyUELIDHRDGPKPRJ-UHFFFAOYSA-N
XLogP2.33
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-4-(4-fluorophenyl)sulfonylmorpholine
CID 110643937
4-benzyl-2-[(4-methoxyphenyl)methyl]morpholine
CID 142864926
(2R)-4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine
CID 25279605
2-benzyl-4-benzylsulfonylmorpholine
CID 71801614
methyl 2-[4-(benzenesulfonyl)morpholin-2-yl]acetate
CID 79771144
2-(2-chlorophenyl)-4-(4-methoxyphenyl)sulfonylmorpholine
CID 110326898
(2S)-2-benzyl-4-pyrrolidin-1-ylsulfonylmorpholine
CID 28732849
4-(4-ethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine
CID 110327245
4-(4-methoxyphenyl)sulfonylmorpholine-2-carbonitrile
CID 78946237
2-benzyl-4-(2-phenylethylsulfonyl)morpholine
CID 110643972
(2R)-2-benzyl-4-(4-ethylsulfonylphenyl)morpholine
CID 125138388
1-(4-methoxyphenyl)sulfonyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 1151854

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(4-methoxyphenyl)sulfonylmorpholine?
The IUPAC name of 2-benzyl-4-(4-methoxyphenyl)sulfonylmorpholine (CID 110643940) is 2-benzyl-4-(4-methoxyphenyl)sulfonylmorpholine.
What is the SMILES notation for 2-benzyl-4-(4-methoxyphenyl)sulfonylmorpholine?
The canonical SMILES for 2-benzyl-4-(4-methoxyphenyl)sulfonylmorpholine is COc1ccc(S(=O)(=O)N2CCOC(Cc3ccccc3)C2)cc1.
What is the InChIKey of 2-benzyl-4-(4-methoxyphenyl)sulfonylmorpholine?
The InChIKey is UELIDHRDGPKPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-22-16-7-9-18(10-8-16)24(20,21)19-11-12-23-17(14-19)13-15-5-3-2-4-6-15/h2-10,17H,11-14H2,1H3.
What are the key properties of 2-benzyl-4-(4-methoxyphenyl)sulfonylmorpholine?
2-benzyl-4-(4-methoxyphenyl)sulfonylmorpholine has a molecular weight of 347.44 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(4-methoxyphenyl)sulfonylmorpholine is sourced from PubChem (CID 110643940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).