2-(benzenesulfonyl)-1-morpholin-4-ylethanone

C12H15NO4S — CID 7314899

IUPAC2-(benzenesulfonyl)-1-morpholin-4-ylethanone
SMILESO=C(CS(=O)(=O)c1ccccc1)N1CCOCC1
InChIInChI=1S/C12H15NO4S/c14-12(13-6-8-17-9-7-13)10-18(15,16)11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyGLXZEHPWBMHFJD-UHFFFAOYSA-N
MW269.32 g/mol
LogP0.32
Rot. Bonds3

About 2-(benzenesulfonyl)-1-morpholin-4-ylethanone

2-(benzenesulfonyl)-1-morpholin-4-ylethanone (PubChem CID 7314899) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-morpholin-4-ylethanone
PubChem CID7314899
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name2-(benzenesulfonyl)-1-morpholin-4-ylethanone
SMILESO=C(CS(=O)(=O)c1ccccc1)N1CCOCC1
InChIInChI=1S/C12H15NO4S/c14-12(13-6-8-17-9-7-13)10-18(15,16)11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyGLXZEHPWBMHFJD-UHFFFAOYSA-N
XLogP0.32
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Benzenesulfonyl)-1-piperidin-1-ylethanone
CID 975540
3-(4-Fluorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one
CID 588543
4-[2-(Benzenesulfonyl)ethyl]morpholine
CID 2818767
Phenylthioacetic acid, morpholide
CID 532039
2-(Benzylsulfonyl)-1-(morpholin-4-yl)ethanone
CID 284483
2-[(2-Chlorophenyl)sulfonyl]-1-morpholino-1-ethanone
CID 1486409
3-(4-Morpholinyl)-3-oxopropyl phenyl sulfone
CID 772989
4-[3-(Phenylthio)propanoyl]morpholine
CID 875838
[1-(Benzenesulfonyl)cyclopent-3-en-1-yl]-morpholin-4-ylmethanone
CID 24819500
1-Morpholino-2-tosylethanone
CID 285619
2-[(4-Fluorophenyl)sulfanyl]-1-morpholino-1-ethanone
CID 1486398
2-[(4-Fluorophenyl)sulfonyl]-1-morpholino-1-ethanone
CID 1486407

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(benzenesulfonyl)-1-morpholin-4-ylethanone (CID 7314899) is 2-(benzenesulfonyl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(benzenesulfonyl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(benzenesulfonyl)-1-morpholin-4-ylethanone is O=C(CS(=O)(=O)c1ccccc1)N1CCOCC1.
What is the InChIKey of 2-(benzenesulfonyl)-1-morpholin-4-ylethanone?
The InChIKey is GLXZEHPWBMHFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c14-12(13-6-8-17-9-7-13)10-18(15,16)11-4-2-1-3-5-11/h1-5H,6-10H2.
What are the key properties of 2-(benzenesulfonyl)-1-morpholin-4-ylethanone?
2-(benzenesulfonyl)-1-morpholin-4-ylethanone has a molecular weight of 269.32 g/mol, XLogP of 0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 7314899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).