2-(2,4-difluorophenyl)sulfonyl-1-[(2S)-2-methylmorpholin-4-yl]ethanone

C13H15F2NO4S — CID 94151176

IUPAC2-(2,4-difluorophenyl)sulfonyl-1-[(2S)-2-methylmorpholin-4-yl]ethanone
SMILESC[C@H]1CN(C(=O)CS(=O)(=O)c2ccc(F)cc2F)CCO1
InChIInChI=1S/C13H15F2NO4S/c1-9-7-16(4-5-20-9)13(17)8-21(18,19)12-3-2-10(14)6-11(12)15/h2-3,6,9H,4-5,7-8H2,1H3/t9-/m0/s1
InChIKeyZPGZBATXFMVQBI-VIFPVBQESA-N
MW319.33 g/mol
LogP0.99
Rot. Bonds3

About 2-(2,4-difluorophenyl)sulfonyl-1-[(2S)-2-methylmorpholin-4-yl]ethanone

2-(2,4-difluorophenyl)sulfonyl-1-[(2S)-2-methylmorpholin-4-yl]ethanone (PubChem CID 94151176) has the molecular formula C13H15F2NO4S and a molecular weight of 319.33 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfonyl-1-[(2S)-2-methylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfonyl-1-[(2S)-2-methylmorpholin-4-yl]ethanone
PubChem CID94151176
Molecular FormulaC13H15F2NO4S
Molecular Weight319.33 g/mol
Exact Mass319.07
IUPAC Name2-(2,4-difluorophenyl)sulfonyl-1-[(2S)-2-methylmorpholin-4-yl]ethanone
SMILESC[C@H]1CN(C(=O)CS(=O)(=O)c2ccc(F)cc2F)CCO1
InChIInChI=1S/C13H15F2NO4S/c1-9-7-16(4-5-20-9)13(17)8-21(18,19)12-3-2-10(14)6-11(12)15/h2-3,6,9H,4-5,7-8H2,1H3/t9-/m0/s1
InChIKeyZPGZBATXFMVQBI-VIFPVBQESA-N
XLogP0.99
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfonyl-1-[(2S)-2-methylmorpholin-4-yl]ethanone?
The IUPAC name of 2-(2,4-difluorophenyl)sulfonyl-1-[(2S)-2-methylmorpholin-4-yl]ethanone (CID 94151176) is 2-(2,4-difluorophenyl)sulfonyl-1-[(2S)-2-methylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfonyl-1-[(2S)-2-methylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfonyl-1-[(2S)-2-methylmorpholin-4-yl]ethanone is C[C@H]1CN(C(=O)CS(=O)(=O)c2ccc(F)cc2F)CCO1.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfonyl-1-[(2S)-2-methylmorpholin-4-yl]ethanone?
The InChIKey is ZPGZBATXFMVQBI-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15F2NO4S/c1-9-7-16(4-5-20-9)13(17)8-21(18,19)12-3-2-10(14)6-11(12)15/h2-3,6,9H,4-5,7-8H2,1H3/t9-/m0/s1.
What are the key properties of 2-(2,4-difluorophenyl)sulfonyl-1-[(2S)-2-methylmorpholin-4-yl]ethanone?
2-(2,4-difluorophenyl)sulfonyl-1-[(2S)-2-methylmorpholin-4-yl]ethanone has a molecular weight of 319.33 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfonyl-1-[(2S)-2-methylmorpholin-4-yl]ethanone is sourced from PubChem (CID 94151176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).