4-[(4-chlorophenyl)methylsulfonyl]-5-methyl-2-(4-methylphenyl)morpholine

C19H22ClNO3S — CID 110369540

IUPAC4-[(4-chlorophenyl)methylsulfonyl]-5-methyl-2-(4-methylphenyl)morpholine
SMILESCc1ccc(C2CN(S(=O)(=O)Cc3ccc(Cl)cc3)C(C)CO2)cc1
InChIInChI=1S/C19H22ClNO3S/c1-14-3-7-17(8-4-14)19-11-21(15(2)12-24-19)25(22,23)13-16-5-9-18(20)10-6-16/h3-10,15,19H,11-13H2,1-2H3
InChIKeyLOASFYOVJVMTCZ-UHFFFAOYSA-N
MW379.91 g/mol
LogP3.94
Rot. Bonds4

About 4-[(4-chlorophenyl)methylsulfonyl]-5-methyl-2-(4-methylphenyl)morpholine

4-[(4-chlorophenyl)methylsulfonyl]-5-methyl-2-(4-methylphenyl)morpholine (PubChem CID 110369540) has the molecular formula C19H22ClNO3S and a molecular weight of 379.91 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methylsulfonyl]-5-methyl-2-(4-methylphenyl)morpholine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methylsulfonyl]-5-methyl-2-(4-methylphenyl)morpholine
PubChem CID110369540
Molecular FormulaC19H22ClNO3S
Molecular Weight379.91 g/mol
Exact Mass379.10
IUPAC Name4-[(4-chlorophenyl)methylsulfonyl]-5-methyl-2-(4-methylphenyl)morpholine
SMILESCc1ccc(C2CN(S(=O)(=O)Cc3ccc(Cl)cc3)C(C)CO2)cc1
InChIInChI=1S/C19H22ClNO3S/c1-14-3-7-17(8-4-14)19-11-21(15(2)12-24-19)25(22,23)13-16-5-9-18(20)10-6-16/h3-10,15,19H,11-13H2,1-2H3
InChIKeyLOASFYOVJVMTCZ-UHFFFAOYSA-N
XLogP3.94
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzylsulfonyl-5-methyl-2-phenylmorpholine
CID 110369410
5-methyl-2-(4-methylphenyl)-4-methylsulfonylmorpholine
CID 110369509
5-methyl-4-[(3-methylphenyl)methylsulfonyl]-2-phenylmorpholine
CID 110369412
4-[(2,5-dimethylmorpholin-4-yl)sulfonylmethyl]aniline
CID 43544294
4-ethylsulfonyl-2-(4-methoxyphenyl)-5-methylmorpholine
CID 110369636
4-(3-chloro-4-methoxyphenyl)sulfonyl-5-methyl-2-(4-methylphenyl)morpholine
CID 110369532
3-[(4-chlorophenyl)methylsulfonyl]-2-methyl-1,3-oxazolidine
CID 110740261
1-[(4-chlorophenyl)methylsulfonyl]-2,4-dimethylpiperazine
CID 110707864
3,5-dimethyl-4-[(4-methylphenyl)methylsulfonyl]morpholine
CID 110292406
2-benzyl-4-benzylsulfonyl-5-methylmorpholine
CID 110644092
2-methyl-1-[(4-methylphenyl)methylsulfonyl]pyrrolidine
CID 20718917
(2R,5S)-2-(3-chlorophenyl)-N,N,5-trimethylmorpholine-4-sulfonamide
CID 99825537

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methylsulfonyl]-5-methyl-2-(4-methylphenyl)morpholine?
The IUPAC name of 4-[(4-chlorophenyl)methylsulfonyl]-5-methyl-2-(4-methylphenyl)morpholine (CID 110369540) is 4-[(4-chlorophenyl)methylsulfonyl]-5-methyl-2-(4-methylphenyl)morpholine.
What is the SMILES notation for 4-[(4-chlorophenyl)methylsulfonyl]-5-methyl-2-(4-methylphenyl)morpholine?
The canonical SMILES for 4-[(4-chlorophenyl)methylsulfonyl]-5-methyl-2-(4-methylphenyl)morpholine is Cc1ccc(C2CN(S(=O)(=O)Cc3ccc(Cl)cc3)C(C)CO2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methylsulfonyl]-5-methyl-2-(4-methylphenyl)morpholine?
The InChIKey is LOASFYOVJVMTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3S/c1-14-3-7-17(8-4-14)19-11-21(15(2)12-24-19)25(22,23)13-16-5-9-18(20)10-6-16/h3-10,15,19H,11-13H2,1-2H3.
What are the key properties of 4-[(4-chlorophenyl)methylsulfonyl]-5-methyl-2-(4-methylphenyl)morpholine?
4-[(4-chlorophenyl)methylsulfonyl]-5-methyl-2-(4-methylphenyl)morpholine has a molecular weight of 379.91 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methylsulfonyl]-5-methyl-2-(4-methylphenyl)morpholine is sourced from PubChem (CID 110369540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).