methyl 2-[ethyl-(3-hydroxyphenyl)sulfonylamino]acetate

C11H15NO5S — CID 81258786

IUPACmethyl 2-[ethyl-(3-hydroxyphenyl)sulfonylamino]acetate
SMILESCCN(CC(=O)OC)S(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C11H15NO5S/c1-3-12(8-11(14)17-2)18(15,16)10-6-4-5-9(13)7-10/h4-7,13H,3,8H2,1-2H3
InChIKeyRWTSFKRQEOMULB-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.58
Rot. Bonds5

About methyl 2-[ethyl-(3-hydroxyphenyl)sulfonylamino]acetate

methyl 2-[ethyl-(3-hydroxyphenyl)sulfonylamino]acetate (PubChem CID 81258786) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is methyl 2-[ethyl-(3-hydroxyphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[ethyl-(3-hydroxyphenyl)sulfonylamino]acetate
PubChem CID81258786
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Namemethyl 2-[ethyl-(3-hydroxyphenyl)sulfonylamino]acetate
SMILESCCN(CC(=O)OC)S(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C11H15NO5S/c1-3-12(8-11(14)17-2)18(15,16)10-6-4-5-9(13)7-10/h4-7,13H,3,8H2,1-2H3
InChIKeyRWTSFKRQEOMULB-UHFFFAOYSA-N
XLogP0.58
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[2-[ethyl-(3-hydroxyphenyl)sulfonylamino]ethyl]-3-hydroxybenzenesulfonamide
CID 46232296
methyl 2-[2,3-dihydro-1H-inden-5-ylsulfonyl(ethyl)amino]acetate
CID 61384140
N-[3-(dimethylamino)propyl]-N-ethyl-3-hydroxybenzenesulfonamide
CID 102995327
2-[ethyl-(3-methoxycarbonylphenyl)sulfonylamino]acetic acid
CID 61012663
methyl 2-[(3-nitrophenyl)sulfonyl-propylamino]acetate
CID 61072138
N,N-bis(2-ethoxyethyl)-3-hydroxybenzenesulfonamide
CID 82939428
methyl 2-[ethyl-(2-fluorophenyl)sulfonylamino]acetate
CID 61384024
4-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 54997976
methyl 3-[ethyl-(3-nitrophenyl)sulfonylamino]propanoate
CID 61010794
methyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-ethylamino]acetate
CID 54979377
2-[ethyl-[3-(methylsulfamoyl)phenyl]sulfonylamino]-N-methylacetamide
CID 49240452
methyl 2-[(4-aminophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955213

Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl-(3-hydroxyphenyl)sulfonylamino]acetate?
The IUPAC name of methyl 2-[ethyl-(3-hydroxyphenyl)sulfonylamino]acetate (CID 81258786) is methyl 2-[ethyl-(3-hydroxyphenyl)sulfonylamino]acetate.
What is the SMILES notation for methyl 2-[ethyl-(3-hydroxyphenyl)sulfonylamino]acetate?
The canonical SMILES for methyl 2-[ethyl-(3-hydroxyphenyl)sulfonylamino]acetate is CCN(CC(=O)OC)S(=O)(=O)c1cccc(O)c1.
What is the InChIKey of methyl 2-[ethyl-(3-hydroxyphenyl)sulfonylamino]acetate?
The InChIKey is RWTSFKRQEOMULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c1-3-12(8-11(14)17-2)18(15,16)10-6-4-5-9(13)7-10/h4-7,13H,3,8H2,1-2H3.
What are the key properties of methyl 2-[ethyl-(3-hydroxyphenyl)sulfonylamino]acetate?
methyl 2-[ethyl-(3-hydroxyphenyl)sulfonylamino]acetate has a molecular weight of 273.31 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl-(3-hydroxyphenyl)sulfonylamino]acetate is sourced from PubChem (CID 81258786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).