methyl 2-[(4-methoxyphenyl)sulfonylamino]acetate

C10H13NO5S — CID 743488

IUPACmethyl 2-[(4-methoxyphenyl)sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C10H13NO5S/c1-15-8-3-5-9(6-4-8)17(13,14)11-7-10(12)16-2/h3-6,11H,7H2,1-2H3
InChIKeyGCWTVZKDBPLSKR-UHFFFAOYSA-N
MW259.28 g/mol
LogP0.15
Rot. Bonds5

About methyl 2-[(4-methoxyphenyl)sulfonylamino]acetate

methyl 2-[(4-methoxyphenyl)sulfonylamino]acetate (PubChem CID 743488) has the molecular formula C10H13NO5S and a molecular weight of 259.28 g/mol. Its IUPAC name is methyl 2-[(4-methoxyphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-methoxyphenyl)sulfonylamino]acetate
PubChem CID743488
Molecular FormulaC10H13NO5S
Molecular Weight259.28 g/mol
Exact Mass259.05
IUPAC Namemethyl 2-[(4-methoxyphenyl)sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C10H13NO5S/c1-15-8-3-5-9(6-4-8)17(13,14)11-7-10(12)16-2/h3-6,11H,7H2,1-2H3
InChIKeyGCWTVZKDBPLSKR-UHFFFAOYSA-N
XLogP0.15
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methoxyphenyl)sulfonylamino]acetate?
The IUPAC name of methyl 2-[(4-methoxyphenyl)sulfonylamino]acetate (CID 743488) is methyl 2-[(4-methoxyphenyl)sulfonylamino]acetate.
What is the SMILES notation for methyl 2-[(4-methoxyphenyl)sulfonylamino]acetate?
The canonical SMILES for methyl 2-[(4-methoxyphenyl)sulfonylamino]acetate is COC(=O)CNS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 2-[(4-methoxyphenyl)sulfonylamino]acetate?
The InChIKey is GCWTVZKDBPLSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S/c1-15-8-3-5-9(6-4-8)17(13,14)11-7-10(12)16-2/h3-6,11H,7H2,1-2H3.
What are the key properties of methyl 2-[(4-methoxyphenyl)sulfonylamino]acetate?
methyl 2-[(4-methoxyphenyl)sulfonylamino]acetate has a molecular weight of 259.28 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methoxyphenyl)sulfonylamino]acetate is sourced from PubChem (CID 743488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).