methyl 3-[(4-hydroxyphenyl)sulfonylamino]-2-morpholin-4-ylpropanoate

C14H20N2O6S — CID 67494614

IUPACmethyl 3-[(4-hydroxyphenyl)sulfonylamino]-2-morpholin-4-ylpropanoate
SMILESCOC(=O)C(CNS(=O)(=O)c1ccc(O)cc1)N1CCOCC1
InChIInChI=1S/C14H20N2O6S/c1-21-14(18)13(16-6-8-22-9-7-16)10-15-23(19,20)12-4-2-11(17)3-5-12/h2-5,13,15,17H,6-10H2,1H3
InChIKeyXZHOQUIXQWNJJR-UHFFFAOYSA-N
MW344.39 g/mol
LogP-0.46
Rot. Bonds6

About methyl 3-[(4-hydroxyphenyl)sulfonylamino]-2-morpholin-4-ylpropanoate

methyl 3-[(4-hydroxyphenyl)sulfonylamino]-2-morpholin-4-ylpropanoate (PubChem CID 67494614) has the molecular formula C14H20N2O6S and a molecular weight of 344.39 g/mol. Its IUPAC name is methyl 3-[(4-hydroxyphenyl)sulfonylamino]-2-morpholin-4-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(4-hydroxyphenyl)sulfonylamino]-2-morpholin-4-ylpropanoate
PubChem CID67494614
Molecular FormulaC14H20N2O6S
Molecular Weight344.39 g/mol
Exact Mass344.10
IUPAC Namemethyl 3-[(4-hydroxyphenyl)sulfonylamino]-2-morpholin-4-ylpropanoate
SMILESCOC(=O)C(CNS(=O)(=O)c1ccc(O)cc1)N1CCOCC1
InChIInChI=1S/C14H20N2O6S/c1-21-14(18)13(16-6-8-22-9-7-16)10-15-23(19,20)12-4-2-11(17)3-5-12/h2-5,13,15,17H,6-10H2,1H3
InChIKeyXZHOQUIXQWNJJR-UHFFFAOYSA-N
XLogP-0.46
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-[(4-hydroxyphenyl)sulfonylamino]-1-methoxy-1-oxopropan-2-yl]piperazine-1-carboxylic acid
CID 66870567
methyl (2S)-3-[[4-(cyclopropylmethoxy)phenyl]sulfonylamino]-2-morpholin-4-ylpropanoate
CID 67494631
3-[(4-hydroxyphenyl)sulfonylamino]-2-(4-methylsulfonylpiperazin-1-yl)propanoic acid
CID 66870713
N-[4-(2-morpholin-4-ylpropylsulfamoyl)phenyl]acetamide
CID 43064581
methyl 3-[[4-(naphthalen-2-ylmethoxy)phenyl]sulfonylamino]-2-piperidin-1-ylpropanoate
CID 67494924
methyl (2S)-3-[(4-but-2-ynoxyphenyl)sulfonylamino]-2-(4-methylsulfonylpiperazin-1-yl)propanoate
CID 86675012
4-fluoro-N-(2-morpholin-4-ylpropyl)benzenesulfonamide
CID 43064575
4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348296
N-[4-(2-morpholin-4-ylpropylsulfamoyl)phenyl]propanamide
CID 49239958
4-(2-methoxyethoxy)-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
CID 55598879
methyl (2R)-2-morpholin-4-yl-3-phenylmethoxypropanoate
CID 140841569
N-[(2R)-2-morpholin-4-ylpropyl]-4-phenylbenzenesulfonamide
CID 39835568

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-hydroxyphenyl)sulfonylamino]-2-morpholin-4-ylpropanoate?
The IUPAC name of methyl 3-[(4-hydroxyphenyl)sulfonylamino]-2-morpholin-4-ylpropanoate (CID 67494614) is methyl 3-[(4-hydroxyphenyl)sulfonylamino]-2-morpholin-4-ylpropanoate.
What is the SMILES notation for methyl 3-[(4-hydroxyphenyl)sulfonylamino]-2-morpholin-4-ylpropanoate?
The canonical SMILES for methyl 3-[(4-hydroxyphenyl)sulfonylamino]-2-morpholin-4-ylpropanoate is COC(=O)C(CNS(=O)(=O)c1ccc(O)cc1)N1CCOCC1.
What is the InChIKey of methyl 3-[(4-hydroxyphenyl)sulfonylamino]-2-morpholin-4-ylpropanoate?
The InChIKey is XZHOQUIXQWNJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O6S/c1-21-14(18)13(16-6-8-22-9-7-16)10-15-23(19,20)12-4-2-11(17)3-5-12/h2-5,13,15,17H,6-10H2,1H3.
What are the key properties of methyl 3-[(4-hydroxyphenyl)sulfonylamino]-2-morpholin-4-ylpropanoate?
methyl 3-[(4-hydroxyphenyl)sulfonylamino]-2-morpholin-4-ylpropanoate has a molecular weight of 344.39 g/mol, XLogP of -0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-hydroxyphenyl)sulfonylamino]-2-morpholin-4-ylpropanoate is sourced from PubChem (CID 67494614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).