2-benzyl-4-[(2-chlorophenyl)methylsulfonyl]-6-methylmorpholine

C19H22ClNO3S — CID 110644230

IUPAC2-benzyl-4-[(2-chlorophenyl)methylsulfonyl]-6-methylmorpholine
SMILESCC1CN(S(=O)(=O)Cc2ccccc2Cl)CC(Cc2ccccc2)O1
InChIInChI=1S/C19H22ClNO3S/c1-15-12-21(13-18(24-15)11-16-7-3-2-4-8-16)25(22,23)14-17-9-5-6-10-19(17)20/h2-10,15,18H,11-14H2,1H3
InChIKeyDBVDKVLVWQCTCU-UHFFFAOYSA-N
MW379.91 g/mol
LogP3.50
Rot. Bonds5

About 2-benzyl-4-[(2-chlorophenyl)methylsulfonyl]-6-methylmorpholine

2-benzyl-4-[(2-chlorophenyl)methylsulfonyl]-6-methylmorpholine (PubChem CID 110644230) has the molecular formula C19H22ClNO3S and a molecular weight of 379.91 g/mol. Its IUPAC name is 2-benzyl-4-[(2-chlorophenyl)methylsulfonyl]-6-methylmorpholine.

Molecular Properties

Compound Name2-benzyl-4-[(2-chlorophenyl)methylsulfonyl]-6-methylmorpholine
PubChem CID110644230
Molecular FormulaC19H22ClNO3S
Molecular Weight379.91 g/mol
Exact Mass379.10
IUPAC Name2-benzyl-4-[(2-chlorophenyl)methylsulfonyl]-6-methylmorpholine
SMILESCC1CN(S(=O)(=O)Cc2ccccc2Cl)CC(Cc2ccccc2)O1
InChIInChI=1S/C19H22ClNO3S/c1-15-12-21(13-18(24-15)11-16-7-3-2-4-8-16)25(22,23)14-17-9-5-6-10-19(17)20/h2-10,15,18H,11-14H2,1H3
InChIKeyDBVDKVLVWQCTCU-UHFFFAOYSA-N
XLogP3.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methylsulfonyl]-3,5-dimethylpiperidine
CID 17257572
4-[(2-chlorophenyl)methylsulfonyl]-2-methylmorpholine
CID 110292466
2-benzyl-6-methyl-4-(2-methylphenyl)sulfonylmorpholine
CID 110644243
2-benzyl-4-(4-ethylphenyl)sulfonyl-6-methylmorpholine
CID 110644206
2-benzyl-4-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine
CID 110644203
2-benzyl-6-methyl-4-(3-methylphenyl)sulfonylmorpholine
CID 110644224
2-[(2-chlorophenyl)methylsulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867919
2-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6-methylmorpholine
CID 110644216
1-[(2-chlorophenyl)methylsulfonyl]-3-methylpyrrolidine
CID 110749811
(2S)-1,4-bis[(2-chlorophenyl)methylsulfonyl]-2-methylpiperazine
CID 41301352
1-benzyl-2,6-dimethyl-4-[(2-methylphenyl)methylsulfonyl]piperazine
CID 110393933
2,6-dimethyl-4-[(2-nitrophenyl)methylsulfonyl]morpholine
CID 4994526

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-[(2-chlorophenyl)methylsulfonyl]-6-methylmorpholine?
The IUPAC name of 2-benzyl-4-[(2-chlorophenyl)methylsulfonyl]-6-methylmorpholine (CID 110644230) is 2-benzyl-4-[(2-chlorophenyl)methylsulfonyl]-6-methylmorpholine.
What is the SMILES notation for 2-benzyl-4-[(2-chlorophenyl)methylsulfonyl]-6-methylmorpholine?
The canonical SMILES for 2-benzyl-4-[(2-chlorophenyl)methylsulfonyl]-6-methylmorpholine is CC1CN(S(=O)(=O)Cc2ccccc2Cl)CC(Cc2ccccc2)O1.
What is the InChIKey of 2-benzyl-4-[(2-chlorophenyl)methylsulfonyl]-6-methylmorpholine?
The InChIKey is DBVDKVLVWQCTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3S/c1-15-12-21(13-18(24-15)11-16-7-3-2-4-8-16)25(22,23)14-17-9-5-6-10-19(17)20/h2-10,15,18H,11-14H2,1H3.
What are the key properties of 2-benzyl-4-[(2-chlorophenyl)methylsulfonyl]-6-methylmorpholine?
2-benzyl-4-[(2-chlorophenyl)methylsulfonyl]-6-methylmorpholine has a molecular weight of 379.91 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-[(2-chlorophenyl)methylsulfonyl]-6-methylmorpholine is sourced from PubChem (CID 110644230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).