4-[(2-chlorophenyl)methylsulfonyl]-2-(4-methoxyphenyl)morpholine

C18H20ClNO4S — CID 110327273

IUPAC4-[(2-chlorophenyl)methylsulfonyl]-2-(4-methoxyphenyl)morpholine
SMILESCOc1ccc(C2CN(S(=O)(=O)Cc3ccccc3Cl)CCO2)cc1
InChIInChI=1S/C18H20ClNO4S/c1-23-16-8-6-14(7-9-16)18-12-20(10-11-24-18)25(21,22)13-15-4-2-3-5-17(15)19/h2-9,18H,10-13H2,1H3
InChIKeyUGPFKCNMTIFORH-UHFFFAOYSA-N
MW381.88 g/mol
LogP3.25
Rot. Bonds5

About 4-[(2-chlorophenyl)methylsulfonyl]-2-(4-methoxyphenyl)morpholine

4-[(2-chlorophenyl)methylsulfonyl]-2-(4-methoxyphenyl)morpholine (PubChem CID 110327273) has the molecular formula C18H20ClNO4S and a molecular weight of 381.88 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methylsulfonyl]-2-(4-methoxyphenyl)morpholine.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methylsulfonyl]-2-(4-methoxyphenyl)morpholine
PubChem CID110327273
Molecular FormulaC18H20ClNO4S
Molecular Weight381.88 g/mol
Exact Mass381.08
IUPAC Name4-[(2-chlorophenyl)methylsulfonyl]-2-(4-methoxyphenyl)morpholine
SMILESCOc1ccc(C2CN(S(=O)(=O)Cc3ccccc3Cl)CCO2)cc1
InChIInChI=1S/C18H20ClNO4S/c1-23-16-8-6-14(7-9-16)18-12-20(10-11-24-18)25(21,22)13-15-4-2-3-5-17(15)19/h2-9,18H,10-13H2,1H3
InChIKeyUGPFKCNMTIFORH-UHFFFAOYSA-N
XLogP3.25
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methoxyphenyl)methylsulfonyl]-2-phenylmorpholine
CID 16895307
4-[(2-chlorophenyl)methylsulfonyl]-2-methylmorpholine
CID 110292466
(2S)-4-[(2-chlorophenyl)methylsulfonyl]-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 97344782
2-(4-methoxyphenyl)-4-(2-methylphenyl)sulfonylmorpholine
CID 110327287
2-(2-chlorophenyl)-4-(4-methoxyphenyl)sulfonylmorpholine
CID 110326898
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-(4-propan-2-ylphenyl)sulfonylmorpholine
CID 110327247
N-[6-[4-[(2-chlorophenyl)methylsulfonyl]morpholin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 110093032
4-benzylsulfonyl-2-(4-bromophenyl)morpholine
CID 47958795
1-[(2-chlorophenyl)methylsulfonyl]-3-methylpyrrolidine
CID 110749811
4-(3,4-dimethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine
CID 110327242

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methylsulfonyl]-2-(4-methoxyphenyl)morpholine?
The IUPAC name of 4-[(2-chlorophenyl)methylsulfonyl]-2-(4-methoxyphenyl)morpholine (CID 110327273) is 4-[(2-chlorophenyl)methylsulfonyl]-2-(4-methoxyphenyl)morpholine.
What is the SMILES notation for 4-[(2-chlorophenyl)methylsulfonyl]-2-(4-methoxyphenyl)morpholine?
The canonical SMILES for 4-[(2-chlorophenyl)methylsulfonyl]-2-(4-methoxyphenyl)morpholine is COc1ccc(C2CN(S(=O)(=O)Cc3ccccc3Cl)CCO2)cc1.
What is the InChIKey of 4-[(2-chlorophenyl)methylsulfonyl]-2-(4-methoxyphenyl)morpholine?
The InChIKey is UGPFKCNMTIFORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4S/c1-23-16-8-6-14(7-9-16)18-12-20(10-11-24-18)25(21,22)13-15-4-2-3-5-17(15)19/h2-9,18H,10-13H2,1H3.
What are the key properties of 4-[(2-chlorophenyl)methylsulfonyl]-2-(4-methoxyphenyl)morpholine?
4-[(2-chlorophenyl)methylsulfonyl]-2-(4-methoxyphenyl)morpholine has a molecular weight of 381.88 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methylsulfonyl]-2-(4-methoxyphenyl)morpholine is sourced from PubChem (CID 110327273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).