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

C18H21NO4S — CID 16895307

IUPAC4-[(4-methoxyphenyl)methylsulfonyl]-2-phenylmorpholine
SMILESCOc1ccc(CS(=O)(=O)N2CCOC(c3ccccc3)C2)cc1
InChIInChI=1S/C18H21NO4S/c1-22-17-9-7-15(8-10-17)14-24(20,21)19-11-12-23-18(13-19)16-5-3-2-4-6-16/h2-10,18H,11-14H2,1H3
InChIKeyNBPBGCPIFZHNMS-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.60
Rot. Bonds5

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

4-[(4-methoxyphenyl)methylsulfonyl]-2-phenylmorpholine (PubChem CID 16895307) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methylsulfonyl]-2-phenylmorpholine.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methylsulfonyl]-2-phenylmorpholine
PubChem CID16895307
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name4-[(4-methoxyphenyl)methylsulfonyl]-2-phenylmorpholine
SMILESCOc1ccc(CS(=O)(=O)N2CCOC(c3ccccc3)C2)cc1
InChIInChI=1S/C18H21NO4S/c1-22-17-9-7-15(8-10-17)14-24(20,21)19-11-12-23-18(13-19)16-5-3-2-4-6-16/h2-10,18H,11-14H2,1H3
InChIKeyNBPBGCPIFZHNMS-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-fluorophenyl)methylsulfonyl]-2-phenylmorpholine
CID 16895302
4-[(2-chlorophenyl)methylsulfonyl]-2-(4-methoxyphenyl)morpholine
CID 110327273
4-benzylsulfonyl-2-(4-bromophenyl)morpholine
CID 47958795
4-[2-(4-methoxyphenyl)ethylsulfonyl]-2-(4-methylphenyl)morpholine
CID 121134912
4-(4-ethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine
CID 110327245
2-(4-methoxyphenyl)-4-(2-methylphenyl)sulfonylmorpholine
CID 110327287
2-(4-ethylphenyl)-4-(3-phenylpropylsulfonyl)morpholine
CID 110364078
4-(benzenesulfonyl)-2-(4-ethylphenyl)morpholine
CID 110364047
2-(4-methoxyphenoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone
CID 25281339
2-(4-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone
CID 25281342
(2R)-4-benzylsulfonyl-2-pyrazin-2-ylmorpholine
CID 124960005
(2S)-4-benzylsulfonyl-2-pyrazin-2-ylmorpholine
CID 124960004

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methylsulfonyl]-2-phenylmorpholine?
The IUPAC name of 4-[(4-methoxyphenyl)methylsulfonyl]-2-phenylmorpholine (CID 16895307) is 4-[(4-methoxyphenyl)methylsulfonyl]-2-phenylmorpholine.
What is the SMILES notation for 4-[(4-methoxyphenyl)methylsulfonyl]-2-phenylmorpholine?
The canonical SMILES for 4-[(4-methoxyphenyl)methylsulfonyl]-2-phenylmorpholine is COc1ccc(CS(=O)(=O)N2CCOC(c3ccccc3)C2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methylsulfonyl]-2-phenylmorpholine?
The InChIKey is NBPBGCPIFZHNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-22-17-9-7-15(8-10-17)14-24(20,21)19-11-12-23-18(13-19)16-5-3-2-4-6-16/h2-10,18H,11-14H2,1H3.
What are the key properties of 4-[(4-methoxyphenyl)methylsulfonyl]-2-phenylmorpholine?
4-[(4-methoxyphenyl)methylsulfonyl]-2-phenylmorpholine has a molecular weight of 347.44 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methylsulfonyl]-2-phenylmorpholine is sourced from PubChem (CID 16895307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).