4-(2-chlorophenyl)sulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine

C19H22ClNO3S — CID 110327496

IUPAC4-(2-chlorophenyl)sulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine
SMILESCc1ccc(C2CN(S(=O)(=O)c3ccccc3Cl)C(C)(C)CO2)cc1
InChIInChI=1S/C19H22ClNO3S/c1-14-8-10-15(11-9-14)17-12-21(19(2,3)13-24-17)25(22,23)18-7-5-4-6-16(18)20/h4-11,17H,12-13H2,1-3H3
InChIKeyLEZIMEABGGXARJ-UHFFFAOYSA-N
MW379.91 g/mol
LogP4.19
Rot. Bonds3

About 4-(2-chlorophenyl)sulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine

4-(2-chlorophenyl)sulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine (PubChem CID 110327496) has the molecular formula C19H22ClNO3S and a molecular weight of 379.91 g/mol. Its IUPAC name is 4-(2-chlorophenyl)sulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine.

Molecular Properties

Compound Name4-(2-chlorophenyl)sulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine
PubChem CID110327496
Molecular FormulaC19H22ClNO3S
Molecular Weight379.91 g/mol
Exact Mass379.10
IUPAC Name4-(2-chlorophenyl)sulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine
SMILESCc1ccc(C2CN(S(=O)(=O)c3ccccc3Cl)C(C)(C)CO2)cc1
InChIInChI=1S/C19H22ClNO3S/c1-14-8-10-15(11-9-14)17-12-21(19(2,3)13-24-17)25(22,23)18-7-5-4-6-16(18)20/h4-11,17H,12-13H2,1-3H3
InChIKeyLEZIMEABGGXARJ-UHFFFAOYSA-N
XLogP4.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-butylsulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine
CID 110327467
4-(4-methoxy-2-methylphenyl)sulfonyl-5,5-dimethyl-2-phenylmorpholine
CID 110327378
4-(3-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-5,5-dimethylmorpholine
CID 110327595
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5,5-dimethyl-2-phenylmorpholine
CID 110327408
2-(2-fluorophenyl)-4-(2-methoxy-5-methylphenyl)sulfonyl-5,5-dimethylmorpholine
CID 110368964
5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]-2-phenylmorpholine
CID 110327395
2-(4-fluorophenyl)-5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]morpholine
CID 110327583
4-(4-fluoro-2-methylphenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine
CID 110368961
4-(4-ethylphenyl)sulfonyl-2-(4-fluorophenyl)-5,5-dimethylmorpholine
CID 110327570
5,5-dimethyl-2-phenyl-4-(3-phenylpropylsulfonyl)morpholine
CID 110327404
4-(3-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine
CID 110368984
4-(2-chlorophenyl)sulfonyl-2,5-dimethylmorpholine
CID 46596057

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)sulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine?
The IUPAC name of 4-(2-chlorophenyl)sulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine (CID 110327496) is 4-(2-chlorophenyl)sulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine.
What is the SMILES notation for 4-(2-chlorophenyl)sulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine?
The canonical SMILES for 4-(2-chlorophenyl)sulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine is Cc1ccc(C2CN(S(=O)(=O)c3ccccc3Cl)C(C)(C)CO2)cc1.
What is the InChIKey of 4-(2-chlorophenyl)sulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine?
The InChIKey is LEZIMEABGGXARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3S/c1-14-8-10-15(11-9-14)17-12-21(19(2,3)13-24-17)25(22,23)18-7-5-4-6-16(18)20/h4-11,17H,12-13H2,1-3H3.
What are the key properties of 4-(2-chlorophenyl)sulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine?
4-(2-chlorophenyl)sulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine has a molecular weight of 379.91 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)sulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine is sourced from PubChem (CID 110327496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).