3-(4-chlorophenyl)sulfonyl-1-(2,6-dimethylmorpholin-4-yl)propan-1-one

C15H20ClNO4S — CID 42906086

IUPAC3-(4-chlorophenyl)sulfonyl-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)CCS(=O)(=O)c2ccc(Cl)cc2)CC(C)O1
InChIInChI=1S/C15H20ClNO4S/c1-11-9-17(10-12(2)21-11)15(18)7-8-22(19,20)14-5-3-13(16)4-6-14/h3-6,11-12H,7-10H2,1-2H3
InChIKeyBYPAPHXDUPTVLG-UHFFFAOYSA-N
MW345.85 g/mol
LogP2.14
Rot. Bonds4

About 3-(4-chlorophenyl)sulfonyl-1-(2,6-dimethylmorpholin-4-yl)propan-1-one

3-(4-chlorophenyl)sulfonyl-1-(2,6-dimethylmorpholin-4-yl)propan-1-one (PubChem CID 42906086) has the molecular formula C15H20ClNO4S and a molecular weight of 345.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-1-(2,6-dimethylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
PubChem CID42906086
Molecular FormulaC15H20ClNO4S
Molecular Weight345.85 g/mol
Exact Mass345.08
IUPAC Name3-(4-chlorophenyl)sulfonyl-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)CCS(=O)(=O)c2ccc(Cl)cc2)CC(C)O1
InChIInChI=1S/C15H20ClNO4S/c1-11-9-17(10-12(2)21-11)15(18)7-8-22(19,20)14-5-3-13(16)4-6-14/h3-6,11-12H,7-10H2,1-2H3
InChIKeyBYPAPHXDUPTVLG-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-(2,6-dimethylmorpholin-4-yl)propan-1-one (CID 42906086) is 3-(4-chlorophenyl)sulfonyl-1-(2,6-dimethylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-1-(2,6-dimethylmorpholin-4-yl)propan-1-one is CC1CN(C(=O)CCS(=O)(=O)c2ccc(Cl)cc2)CC(C)O1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The InChIKey is BYPAPHXDUPTVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4S/c1-11-9-17(10-12(2)21-11)15(18)7-8-22(19,20)14-5-3-13(16)4-6-14/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
3-(4-chlorophenyl)sulfonyl-1-(2,6-dimethylmorpholin-4-yl)propan-1-one has a molecular weight of 345.85 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-1-(2,6-dimethylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 42906086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).