2-[(4-chlorophenyl)methylsulfonyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone

C15H20ClNO4S — CID 2767203

IUPAC2-[(4-chlorophenyl)methylsulfonyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CS(=O)(=O)Cc2ccc(Cl)cc2)CC(C)O1
InChIInChI=1S/C15H20ClNO4S/c1-11-7-17(8-12(2)21-11)15(18)10-22(19,20)9-13-3-5-14(16)6-4-13/h3-6,11-12H,7-10H2,1-2H3
InChIKeyJBVPLLBTQUDUCG-UHFFFAOYSA-N
MW345.85 g/mol
LogP1.89
Rot. Bonds4

About 2-[(4-chlorophenyl)methylsulfonyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone

2-[(4-chlorophenyl)methylsulfonyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone (PubChem CID 2767203) has the molecular formula C15H20ClNO4S and a molecular weight of 345.85 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfonyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfonyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
PubChem CID2767203
Molecular FormulaC15H20ClNO4S
Molecular Weight345.85 g/mol
Exact Mass345.08
IUPAC Name2-[(4-chlorophenyl)methylsulfonyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CS(=O)(=O)Cc2ccc(Cl)cc2)CC(C)O1
InChIInChI=1S/C15H20ClNO4S/c1-11-7-17(8-12(2)21-11)15(18)10-22(19,20)9-13-3-5-14(16)6-4-13/h3-6,11-12H,7-10H2,1-2H3
InChIKeyJBVPLLBTQUDUCG-UHFFFAOYSA-N
XLogP1.89
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone (CID 2767203) is 2-[(4-chlorophenyl)methylsulfonyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfonyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfonyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone is CC1CN(C(=O)CS(=O)(=O)Cc2ccc(Cl)cc2)CC(C)O1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfonyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The InChIKey is JBVPLLBTQUDUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4S/c1-11-7-17(8-12(2)21-11)15(18)10-22(19,20)9-13-3-5-14(16)6-4-13/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 2-[(4-chlorophenyl)methylsulfonyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
2-[(4-chlorophenyl)methylsulfonyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone has a molecular weight of 345.85 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfonyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 2767203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).