4-(3-chloro-4-methoxyphenyl)sulfonyl-5-methyl-2-(4-methylphenyl)morpholine

C19H22ClNO4S — CID 110369532

IUPAC4-(3-chloro-4-methoxyphenyl)sulfonyl-5-methyl-2-(4-methylphenyl)morpholine
SMILESCOc1ccc(S(=O)(=O)N2CC(c3ccc(C)cc3)OCC2C)cc1Cl
InChIInChI=1S/C19H22ClNO4S/c1-13-4-6-15(7-5-13)19-11-21(14(2)12-25-19)26(22,23)16-8-9-18(24-3)17(20)10-16/h4-10,14,19H,11-12H2,1-3H3
InChIKeyOEJPXYZVXZPCND-UHFFFAOYSA-N
MW395.91 g/mol
LogP3.81
Rot. Bonds4

About 4-(3-chloro-4-methoxyphenyl)sulfonyl-5-methyl-2-(4-methylphenyl)morpholine

4-(3-chloro-4-methoxyphenyl)sulfonyl-5-methyl-2-(4-methylphenyl)morpholine (PubChem CID 110369532) has the molecular formula C19H22ClNO4S and a molecular weight of 395.91 g/mol. Its IUPAC name is 4-(3-chloro-4-methoxyphenyl)sulfonyl-5-methyl-2-(4-methylphenyl)morpholine.

Molecular Properties

Compound Name4-(3-chloro-4-methoxyphenyl)sulfonyl-5-methyl-2-(4-methylphenyl)morpholine
PubChem CID110369532
Molecular FormulaC19H22ClNO4S
Molecular Weight395.91 g/mol
Exact Mass395.10
IUPAC Name4-(3-chloro-4-methoxyphenyl)sulfonyl-5-methyl-2-(4-methylphenyl)morpholine
SMILESCOc1ccc(S(=O)(=O)N2CC(c3ccc(C)cc3)OCC2C)cc1Cl
InChIInChI=1S/C19H22ClNO4S/c1-13-4-6-15(7-5-13)19-11-21(14(2)12-25-19)26(22,23)16-8-9-18(24-3)17(20)10-16/h4-10,14,19H,11-12H2,1-3H3
InChIKeyOEJPXYZVXZPCND-UHFFFAOYSA-N
XLogP3.81
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5R)-4-(3-chloro-4-methoxyphenyl)sulfonyl-2,5-dimethylmorpholine
CID 51943139
4-(3-chloro-4-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 110369409
4-(3,4-dichlorophenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 110369392
5-methyl-2-(4-methylphenyl)-4-methylsulfonylmorpholine
CID 110369509
1-(3-chloro-4-methoxyphenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 53096226
(2R,5S)-1,4-bis[(3,4-dimethoxyphenyl)sulfonyl]-2,5-dimethylpiperazine
CID 23654829
4-(benzenesulfonyl)-5-methyl-2-phenylmorpholine
CID 110369381
4-[(4-chlorophenyl)methylsulfonyl]-5-methyl-2-(4-methylphenyl)morpholine
CID 110369540
4-(2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 110369387
4-ethylsulfonyl-2-(4-methoxyphenyl)-5-methylmorpholine
CID 110369636
2-(3-chloro-4-methoxyphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867911
[5-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81219261

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methoxyphenyl)sulfonyl-5-methyl-2-(4-methylphenyl)morpholine?
The IUPAC name of 4-(3-chloro-4-methoxyphenyl)sulfonyl-5-methyl-2-(4-methylphenyl)morpholine (CID 110369532) is 4-(3-chloro-4-methoxyphenyl)sulfonyl-5-methyl-2-(4-methylphenyl)morpholine.
What is the SMILES notation for 4-(3-chloro-4-methoxyphenyl)sulfonyl-5-methyl-2-(4-methylphenyl)morpholine?
The canonical SMILES for 4-(3-chloro-4-methoxyphenyl)sulfonyl-5-methyl-2-(4-methylphenyl)morpholine is COc1ccc(S(=O)(=O)N2CC(c3ccc(C)cc3)OCC2C)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methoxyphenyl)sulfonyl-5-methyl-2-(4-methylphenyl)morpholine?
The InChIKey is OEJPXYZVXZPCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO4S/c1-13-4-6-15(7-5-13)19-11-21(14(2)12-25-19)26(22,23)16-8-9-18(24-3)17(20)10-16/h4-10,14,19H,11-12H2,1-3H3.
What are the key properties of 4-(3-chloro-4-methoxyphenyl)sulfonyl-5-methyl-2-(4-methylphenyl)morpholine?
4-(3-chloro-4-methoxyphenyl)sulfonyl-5-methyl-2-(4-methylphenyl)morpholine has a molecular weight of 395.91 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methoxyphenyl)sulfonyl-5-methyl-2-(4-methylphenyl)morpholine is sourced from PubChem (CID 110369532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).