methyl 2-[4-(ethoxysulfamoyl)phenyl]acetate

C11H15NO5S — CID 64973995

IUPACmethyl 2-[4-(ethoxysulfamoyl)phenyl]acetate
SMILESCCONS(=O)(=O)c1ccc(CC(=O)OC)cc1
InChIInChI=1S/C11H15NO5S/c1-3-17-12-18(14,15)10-6-4-9(5-7-10)8-11(13)16-2/h4-7,12H,3,8H2,1-2H3
InChIKeyCYYKDBJFKORIML-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.63
Rot. Bonds6

About methyl 2-[4-(ethoxysulfamoyl)phenyl]acetate

methyl 2-[4-(ethoxysulfamoyl)phenyl]acetate (PubChem CID 64973995) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is methyl 2-[4-(ethoxysulfamoyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(ethoxysulfamoyl)phenyl]acetate
PubChem CID64973995
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Namemethyl 2-[4-(ethoxysulfamoyl)phenyl]acetate
SMILESCCONS(=O)(=O)c1ccc(CC(=O)OC)cc1
InChIInChI=1S/C11H15NO5S/c1-3-17-12-18(14,15)10-6-4-9(5-7-10)8-11(13)16-2/h4-7,12H,3,8H2,1-2H3
InChIKeyCYYKDBJFKORIML-UHFFFAOYSA-N
XLogP0.63
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 2-[4-(ethoxysulfamoyl)phenyl]acetate 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-acetyl-N-ethoxybenzenesulfonamide
CID 60700500
methyl 2-[4-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]phenyl]acetate
CID 115625371
methyl 2-[4-(2-methylsulfanylpropylsulfamoyl)phenyl]acetate
CID 115756345
methyl 2-[4-(3,3-dimethylbutylsulfamoyl)phenyl]acetate
CID 115625364
methyl 2-[4-(pent-1-yn-3-ylsulfamoyl)phenyl]acetate
CID 106898614
methyl 2-[4-[2-[(4-fluorophenyl)sulfonylamino]-1-sulfanylethyl]phenyl]acetate
CID 56998733
sodium 4-(2-methoxy-2-oxoethyl)phenolate
CID 70152543
CID 172801156
CID 172801156
methyl 2-[4-(2-cyclobutylethylsulfamoyl)phenyl]acetate
CID 115690444
methyl 2-[4-(4-ethylphenyl)phenyl]acetate
CID 20610301
methyl 2-[4-(1,2-oxazol-3-ylmethylsulfamoyl)phenyl]acetate
CID 79481288
methyl 2-[4-[propyl(prop-2-ynyl)sulfamoyl]phenyl]acetate
CID 78958953

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(ethoxysulfamoyl)phenyl]acetate?
The IUPAC name of methyl 2-[4-(ethoxysulfamoyl)phenyl]acetate (CID 64973995) is methyl 2-[4-(ethoxysulfamoyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[4-(ethoxysulfamoyl)phenyl]acetate?
The canonical SMILES for methyl 2-[4-(ethoxysulfamoyl)phenyl]acetate is CCONS(=O)(=O)c1ccc(CC(=O)OC)cc1.
What is the InChIKey of methyl 2-[4-(ethoxysulfamoyl)phenyl]acetate?
The InChIKey is CYYKDBJFKORIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c1-3-17-12-18(14,15)10-6-4-9(5-7-10)8-11(13)16-2/h4-7,12H,3,8H2,1-2H3.
What are the key properties of methyl 2-[4-(ethoxysulfamoyl)phenyl]acetate?
methyl 2-[4-(ethoxysulfamoyl)phenyl]acetate has a molecular weight of 273.31 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(ethoxysulfamoyl)phenyl]acetate is sourced from PubChem (CID 64973995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).