ethyl 4-[(2-amino-2-oxoethoxy)sulfamoyl]benzoate

C11H14N2O6S — CID 115992104

IUPACethyl 4-[(2-amino-2-oxoethoxy)sulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)NOCC(N)=O)cc1
InChIInChI=1S/C11H14N2O6S/c1-2-18-11(15)8-3-5-9(6-4-8)20(16,17)13-19-7-10(12)14/h3-6,13H,2,7H2,1H3,(H2,12,14)
InChIKeyCFRCUZSLSDHEHL-UHFFFAOYSA-N
MW302.31 g/mol
LogP-0.44
Rot. Bonds7

About ethyl 4-[(2-amino-2-oxoethoxy)sulfamoyl]benzoate

ethyl 4-[(2-amino-2-oxoethoxy)sulfamoyl]benzoate (PubChem CID 115992104) has the molecular formula C11H14N2O6S and a molecular weight of 302.31 g/mol. Its IUPAC name is ethyl 4-[(2-amino-2-oxoethoxy)sulfamoyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2-amino-2-oxoethoxy)sulfamoyl]benzoate
PubChem CID115992104
Molecular FormulaC11H14N2O6S
Molecular Weight302.31 g/mol
Exact Mass302.06
IUPAC Nameethyl 4-[(2-amino-2-oxoethoxy)sulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)NOCC(N)=O)cc1
InChIInChI=1S/C11H14N2O6S/c1-2-18-11(15)8-3-5-9(6-4-8)20(16,17)13-19-7-10(12)14/h3-6,13H,2,7H2,1H3,(H2,12,14)
InChIKeyCFRCUZSLSDHEHL-UHFFFAOYSA-N
XLogP-0.44
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-ethoxyphenyl)sulfonylamino]oxyacetamide
CID 112673488
ethyl 4-(hydrazinesulfonyl)benzoate
CID 19755145
2-[(4-methoxyphenyl)sulfonylamino]oxyacetamide
CID 112673531
(2-amino-2-oxoethyl) 4-(ethylsulfamoyl)benzoate
CID 7828149
ethyl 4-[4-(carbamoylsulfamoyl)phenyl]benzoate
CID 110453940
2-[(3-fluoro-4-methylphenyl)sulfonylamino]oxyacetamide
CID 112673521
ethyl 4-(3-methylbutan-2-ylsulfamoyl)benzoate
CID 51169036
4-acetyl-N-ethoxybenzenesulfonamide
CID 60700500
(2-amino-2-oxoethyl) 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 2511957
ethyl 4-[(4-iodophenyl)sulfamoyl]benzoate
CID 26967680
2-[(4-acetylphenyl)sulfonylamino]oxyacetic acid
CID 60661455
2-[(4-ethoxycarbonylphenyl)sulfonylamino]ethyl-dimethylazanium
CID 8716763

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-amino-2-oxoethoxy)sulfamoyl]benzoate?
The IUPAC name of ethyl 4-[(2-amino-2-oxoethoxy)sulfamoyl]benzoate (CID 115992104) is ethyl 4-[(2-amino-2-oxoethoxy)sulfamoyl]benzoate.
What is the SMILES notation for ethyl 4-[(2-amino-2-oxoethoxy)sulfamoyl]benzoate?
The canonical SMILES for ethyl 4-[(2-amino-2-oxoethoxy)sulfamoyl]benzoate is CCOC(=O)c1ccc(S(=O)(=O)NOCC(N)=O)cc1.
What is the InChIKey of ethyl 4-[(2-amino-2-oxoethoxy)sulfamoyl]benzoate?
The InChIKey is CFRCUZSLSDHEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O6S/c1-2-18-11(15)8-3-5-9(6-4-8)20(16,17)13-19-7-10(12)14/h3-6,13H,2,7H2,1H3,(H2,12,14).
What are the key properties of ethyl 4-[(2-amino-2-oxoethoxy)sulfamoyl]benzoate?
ethyl 4-[(2-amino-2-oxoethoxy)sulfamoyl]benzoate has a molecular weight of 302.31 g/mol, XLogP of -0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-amino-2-oxoethoxy)sulfamoyl]benzoate is sourced from PubChem (CID 115992104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).