methyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate

C13H17NO5S — CID 559409

IUPACmethyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate
SMILESCOC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H17NO5S/c1-18-13(15)10-11-2-4-12(5-3-11)20(16,17)14-6-8-19-9-7-14/h2-5H,6-10H2,1H3
InChIKeyNYZOHVGGRFFBEH-UHFFFAOYSA-N
MW299.35 g/mol
LogP0.42
Rot. Bonds4

About methyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate

methyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate (PubChem CID 559409) has the molecular formula C13H17NO5S and a molecular weight of 299.35 g/mol. Its IUPAC name is methyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate
PubChem CID559409
Molecular FormulaC13H17NO5S
Molecular Weight299.35 g/mol
Exact Mass299.08
IUPAC Namemethyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate
SMILESCOC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H17NO5S/c1-18-13(15)10-11-2-4-12(5-3-11)20(16,17)14-6-8-19-9-7-14/h2-5H,6-10H2,1H3
InChIKeyNYZOHVGGRFFBEH-UHFFFAOYSA-N
XLogP0.42
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

acetyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate
CID 21266112
methyl 2-[4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]acetate
CID 18095375
methyl 3-(4-morpholin-4-ylsulfonylphenyl)-3-oxopropanoate
CID 118538510
1-(4-acetylphenyl)-2-(4-morpholin-4-ylsulfonylphenyl)ethanone
CID 162164234
2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 119690125
2-oxopropyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 55316342
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide
CID 30126407
N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 2429764
methyl 3-[benzyl-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]amino]propanoate
CID 55513242
methyl 4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoylmethyl]benzoate
CID 28632468
(2-methoxyphenyl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 8761548
2,2-dimethyl-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]propanamide
CID 108736609

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate?
The IUPAC name of methyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate (CID 559409) is methyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate.
What is the SMILES notation for methyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate?
The canonical SMILES for methyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate is COC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of methyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate?
The InChIKey is NYZOHVGGRFFBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5S/c1-18-13(15)10-11-2-4-12(5-3-11)20(16,17)14-6-8-19-9-7-14/h2-5H,6-10H2,1H3.
What are the key properties of methyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate?
methyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate has a molecular weight of 299.35 g/mol, XLogP of 0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate is sourced from PubChem (CID 559409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).