ethyl 2-[(2-hydroxyphenyl)sulfamoyl]acetate

C10H13NO5S — CID 54952211

IUPACethyl 2-[(2-hydroxyphenyl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)Nc1ccccc1O
InChIInChI=1S/C10H13NO5S/c1-2-16-10(13)7-17(14,15)11-8-5-3-4-6-9(8)12/h3-6,11-12H,2,7H2,1H3
InChIKeyFECNKEDGIPRUNT-UHFFFAOYSA-N
MW259.28 g/mol
LogP0.70
Rot. Bonds5

About ethyl 2-[(2-hydroxyphenyl)sulfamoyl]acetate

ethyl 2-[(2-hydroxyphenyl)sulfamoyl]acetate (PubChem CID 54952211) has the molecular formula C10H13NO5S and a molecular weight of 259.28 g/mol. Its IUPAC name is ethyl 2-[(2-hydroxyphenyl)sulfamoyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-hydroxyphenyl)sulfamoyl]acetate
PubChem CID54952211
Molecular FormulaC10H13NO5S
Molecular Weight259.28 g/mol
Exact Mass259.05
IUPAC Nameethyl 2-[(2-hydroxyphenyl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)Nc1ccccc1O
InChIInChI=1S/C10H13NO5S/c1-2-16-10(13)7-17(14,15)11-8-5-3-4-6-9(8)12/h3-6,11-12H,2,7H2,1H3
InChIKeyFECNKEDGIPRUNT-UHFFFAOYSA-N
XLogP0.70
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[[2-(1-hydroxyethyl)phenyl]sulfamoyl]acetate
CID 61457351
ethyl 2-[(3-amino-2-methylphenyl)sulfamoyl]acetate
CID 54952571
ethyl 2-[(3-bromo-2-methylphenyl)sulfamoyl]acetate
CID 107640763
3-[2-[(2-ethoxy-2-oxoethyl)sulfonylamino]phenyl]propanoic acid
CID 107272611
ethyl 2-[[2-(3-aminoprop-1-ynyl)phenyl]sulfamoyl]acetate
CID 61457466
methyl 2-[(2-hydroxy-4-methylphenyl)sulfamoyl]acetate
CID 54952049
ethyl 2-[(5-amino-2-chlorophenyl)sulfamoyl]acetate
CID 54952001
ethyl 2-[(4-amino-2-methoxyphenyl)sulfamoyl]acetate
CID 61456593
methyl 2-[(2-aminophenyl)sulfamoyl]acetate
CID 14002853
ethyl 2-[(2-bromo-4-chlorophenyl)sulfamoyl]acetate
CID 81274474
5-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybenzoic acid
CID 61456896
ethyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate
CID 61456632

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-hydroxyphenyl)sulfamoyl]acetate?
The IUPAC name of ethyl 2-[(2-hydroxyphenyl)sulfamoyl]acetate (CID 54952211) is ethyl 2-[(2-hydroxyphenyl)sulfamoyl]acetate.
What is the SMILES notation for ethyl 2-[(2-hydroxyphenyl)sulfamoyl]acetate?
The canonical SMILES for ethyl 2-[(2-hydroxyphenyl)sulfamoyl]acetate is CCOC(=O)CS(=O)(=O)Nc1ccccc1O.
What is the InChIKey of ethyl 2-[(2-hydroxyphenyl)sulfamoyl]acetate?
The InChIKey is FECNKEDGIPRUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S/c1-2-16-10(13)7-17(14,15)11-8-5-3-4-6-9(8)12/h3-6,11-12H,2,7H2,1H3.
What are the key properties of ethyl 2-[(2-hydroxyphenyl)sulfamoyl]acetate?
ethyl 2-[(2-hydroxyphenyl)sulfamoyl]acetate has a molecular weight of 259.28 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-hydroxyphenyl)sulfamoyl]acetate is sourced from PubChem (CID 54952211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).