1-(4-morpholin-4-ylsulfonylphenyl)ethanone

C12H15NO4S — CID 746765

IUPAC1-(4-morpholin-4-ylsulfonylphenyl)ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C12H15NO4S/c1-10(14)11-2-4-12(5-3-11)18(15,16)13-6-8-17-9-7-13/h2-5H,6-9H2,1H3
InChIKeyVPKDMMVZORPXFJ-UHFFFAOYSA-N
MW269.32 g/mol
LogP0.91
Rot. Bonds3

About 1-(4-morpholin-4-ylsulfonylphenyl)ethanone

1-(4-morpholin-4-ylsulfonylphenyl)ethanone (PubChem CID 746765) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-morpholin-4-ylsulfonylphenyl)ethanone
PubChem CID746765
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name1-(4-morpholin-4-ylsulfonylphenyl)ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C12H15NO4S/c1-10(14)11-2-4-12(5-3-11)18(15,16)13-6-8-17-9-7-13/h2-5H,6-9H2,1H3
InChIKeyVPKDMMVZORPXFJ-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ST009212
CID 567241
4-acetyl-N,N-dimethylbenzene-1-sulfonamide
CID 2064041
2-[4-(4-Acetylphenyl)sulfonylpiperazin-1-yl]acetonitrile
CID 847259
1-(4-Acetyl-benzenesulfonyl)-piperidine-4-carboxylic acid ethyl ester
CID 1168144
3-acetyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide;hydrochloride
CID 16245733
N,N-dimethyl-4-(4-morpholinylcarbonyl)benzenesulfonamide
CID 800700
1-[4-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylsulfonyl)phenyl]ethanone
CID 1849349
Phenacyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 2346311
1-[4-(4-Acetylpiperazin-1-yl)sulfonylphenyl]ethanone
CID 2562591
1-(4-(Pyrrolidin-1-ylsulfonyl)phenyl)ethanone
CID 787672
methyl (1,1-dioxido-4-oxo-3,4-dihydro-2H-1,2-benzothiazin-2-yl)acetate
CID 16060424
4-(2,6-Dimethylmorpholin-4-yl)sulfonylbenzaldehyde
CID 142866059

Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-ylsulfonylphenyl)ethanone?
The IUPAC name of 1-(4-morpholin-4-ylsulfonylphenyl)ethanone (CID 746765) is 1-(4-morpholin-4-ylsulfonylphenyl)ethanone.
What is the SMILES notation for 1-(4-morpholin-4-ylsulfonylphenyl)ethanone?
The canonical SMILES for 1-(4-morpholin-4-ylsulfonylphenyl)ethanone is CC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 1-(4-morpholin-4-ylsulfonylphenyl)ethanone?
The InChIKey is VPKDMMVZORPXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-10(14)11-2-4-12(5-3-11)18(15,16)13-6-8-17-9-7-13/h2-5H,6-9H2,1H3.
What are the key properties of 1-(4-morpholin-4-ylsulfonylphenyl)ethanone?
1-(4-morpholin-4-ylsulfonylphenyl)ethanone has a molecular weight of 269.32 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylsulfonylphenyl)ethanone is sourced from PubChem (CID 746765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).