1-[4-(2-morpholin-4-ylethylsulfonyl)phenyl]ethanone

C14H19NO4S — CID 82165517

IUPAC1-[4-(2-morpholin-4-ylethylsulfonyl)phenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)CCN2CCOCC2)cc1
InChIInChI=1S/C14H19NO4S/c1-12(16)13-2-4-14(5-3-13)20(17,18)11-8-15-6-9-19-10-7-15/h2-5H,6-11H2,1H3
InChIKeyJLJKXCFEQYWRAG-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.00
Rot. Bonds5

About 1-[4-(2-morpholin-4-ylethylsulfonyl)phenyl]ethanone

1-[4-(2-morpholin-4-ylethylsulfonyl)phenyl]ethanone (PubChem CID 82165517) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-[4-(2-morpholin-4-ylethylsulfonyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2-morpholin-4-ylethylsulfonyl)phenyl]ethanone
PubChem CID82165517
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name1-[4-(2-morpholin-4-ylethylsulfonyl)phenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)CCN2CCOCC2)cc1
InChIInChI=1S/C14H19NO4S/c1-12(16)13-2-4-14(5-3-13)20(17,18)11-8-15-6-9-19-10-7-15/h2-5H,6-11H2,1H3
InChIKeyJLJKXCFEQYWRAG-UHFFFAOYSA-N
XLogP1.00
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(2-morpholin-4-ylethylsulfonyl)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[4-[4-(2-morpholin-4-ylethylsulfonyl)phenoxy]phenyl]sulfonylethyl]morpholine
CID 1099236
1-[4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]ethanone
CID 11507029
2-chloro-4-(2-morpholin-4-ylethylsulfonyl)aniline
CID 81202042
4-[3-(benzenesulfonyl)propyl]morpholine;hydrochloride
CID 3029441
4-acetyl-N-(morpholin-4-ylmethylidene)benzenesulfonamide
CID 175091863
1-[4-(2-aminoethylsulfonyl)phenyl]ethanone;hydrochloride
CID 86775846
1-(4-acetylphenyl)-2-(4-morpholin-4-ylsulfonylphenyl)ethanone
CID 162164234
4-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 3619541
1-[3-amino-4-(2-morpholin-4-ylethoxy)phenyl]ethanone
CID 82064195
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
1-[2-(4-methylsulfonylphenyl)sulfonylethyl]piperidine
CID 154455916
4-acetyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide
CID 110405170

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-morpholin-4-ylethylsulfonyl)phenyl]ethanone?
The IUPAC name of 1-[4-(2-morpholin-4-ylethylsulfonyl)phenyl]ethanone (CID 82165517) is 1-[4-(2-morpholin-4-ylethylsulfonyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(2-morpholin-4-ylethylsulfonyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(2-morpholin-4-ylethylsulfonyl)phenyl]ethanone is CC(=O)c1ccc(S(=O)(=O)CCN2CCOCC2)cc1.
What is the InChIKey of 1-[4-(2-morpholin-4-ylethylsulfonyl)phenyl]ethanone?
The InChIKey is JLJKXCFEQYWRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-12(16)13-2-4-14(5-3-13)20(17,18)11-8-15-6-9-19-10-7-15/h2-5H,6-11H2,1H3.
What are the key properties of 1-[4-(2-morpholin-4-ylethylsulfonyl)phenyl]ethanone?
1-[4-(2-morpholin-4-ylethylsulfonyl)phenyl]ethanone has a molecular weight of 297.38 g/mol, XLogP of 1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-morpholin-4-ylethylsulfonyl)phenyl]ethanone is sourced from PubChem (CID 82165517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).