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

C10H13NO5S — CID 81258635

IUPACethyl 2-[(3-hydroxyphenyl)sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C10H13NO5S/c1-2-16-10(13)7-11-17(14,15)9-5-3-4-8(12)6-9/h3-6,11-12H,2,7H2,1H3
InChIKeyARVYYKAQUWWSHB-UHFFFAOYSA-N
MW259.28 g/mol
LogP0.23
Rot. Bonds5

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

ethyl 2-[(3-hydroxyphenyl)sulfonylamino]acetate (PubChem CID 81258635) has the molecular formula C10H13NO5S and a molecular weight of 259.28 g/mol. Its IUPAC name is ethyl 2-[(3-hydroxyphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-hydroxyphenyl)sulfonylamino]acetate
PubChem CID81258635
Molecular FormulaC10H13NO5S
Molecular Weight259.28 g/mol
Exact Mass259.05
IUPAC Nameethyl 2-[(3-hydroxyphenyl)sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C10H13NO5S/c1-2-16-10(13)7-11-17(14,15)9-5-3-4-8(12)6-9/h3-6,11-12H,2,7H2,1H3
InChIKeyARVYYKAQUWWSHB-UHFFFAOYSA-N
XLogP0.23
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 ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 3735123
ethyl 2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetate
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ethyl 3-[(3-methylphenyl)sulfonylamino]propanoate
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methyl 4-[(2-ethoxy-2-oxoethyl)sulfamoyl]benzoate
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ethyl 2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]acetate
CID 60817410
5-[(2-ethoxy-2-oxoethyl)sulfamoyl]-2-methoxybenzoic acid
CID 60812376
ethyl 2-[[4-(1-aminoethyl)phenyl]sulfonylamino]acetate
CID 54921028
ethyl 2-[(3-amino-5-fluorophenyl)sulfonylamino]acetate
CID 63321745
ethyl 2-[(3-chloro-2-methylphenyl)sulfonylamino]acetate
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3-hydroxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 81259149

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-hydroxyphenyl)sulfonylamino]acetate?
The IUPAC name of ethyl 2-[(3-hydroxyphenyl)sulfonylamino]acetate (CID 81258635) is ethyl 2-[(3-hydroxyphenyl)sulfonylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-hydroxyphenyl)sulfonylamino]acetate?
The canonical SMILES for ethyl 2-[(3-hydroxyphenyl)sulfonylamino]acetate is CCOC(=O)CNS(=O)(=O)c1cccc(O)c1.
What is the InChIKey of ethyl 2-[(3-hydroxyphenyl)sulfonylamino]acetate?
The InChIKey is ARVYYKAQUWWSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S/c1-2-16-10(13)7-11-17(14,15)9-5-3-4-8(12)6-9/h3-6,11-12H,2,7H2,1H3.
What are the key properties of ethyl 2-[(3-hydroxyphenyl)sulfonylamino]acetate?
ethyl 2-[(3-hydroxyphenyl)sulfonylamino]acetate has a molecular weight of 259.28 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-hydroxyphenyl)sulfonylamino]acetate is sourced from PubChem (CID 81258635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).