methyl 3-phenyl-2-sulfamoyloxypropanoate

C10H13NO5S — CID 24761734

IUPACmethyl 3-phenyl-2-sulfamoyloxypropanoate
SMILESCOC(=O)C(Cc1ccccc1)OS(N)(=O)=O
InChIInChI=1S/C10H13NO5S/c1-15-10(12)9(16-17(11,13)14)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H2,11,13,14)
InChIKeyRZQWPOFJUHVYCR-UHFFFAOYSA-N
MW259.28 g/mol
LogP-0.01
Rot. Bonds5

About methyl 3-phenyl-2-sulfamoyloxypropanoate

methyl 3-phenyl-2-sulfamoyloxypropanoate (PubChem CID 24761734) has the molecular formula C10H13NO5S and a molecular weight of 259.28 g/mol. Its IUPAC name is methyl 3-phenyl-2-sulfamoyloxypropanoate.

Molecular Properties

Compound Namemethyl 3-phenyl-2-sulfamoyloxypropanoate
PubChem CID24761734
Molecular FormulaC10H13NO5S
Molecular Weight259.28 g/mol
Exact Mass259.05
IUPAC Namemethyl 3-phenyl-2-sulfamoyloxypropanoate
SMILESCOC(=O)C(Cc1ccccc1)OS(N)(=O)=O
InChIInChI=1S/C10H13NO5S/c1-15-10(12)9(16-17(11,13)14)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H2,11,13,14)
InChIKeyRZQWPOFJUHVYCR-UHFFFAOYSA-N
XLogP-0.01
TPSA95.69 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 ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-phenyl-2-sulfamoyloxypropanoate?
The IUPAC name of methyl 3-phenyl-2-sulfamoyloxypropanoate (CID 24761734) is methyl 3-phenyl-2-sulfamoyloxypropanoate.
What is the SMILES notation for methyl 3-phenyl-2-sulfamoyloxypropanoate?
The canonical SMILES for methyl 3-phenyl-2-sulfamoyloxypropanoate is COC(=O)C(Cc1ccccc1)OS(N)(=O)=O.
What is the InChIKey of methyl 3-phenyl-2-sulfamoyloxypropanoate?
The InChIKey is RZQWPOFJUHVYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S/c1-15-10(12)9(16-17(11,13)14)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H2,11,13,14).
What are the key properties of methyl 3-phenyl-2-sulfamoyloxypropanoate?
methyl 3-phenyl-2-sulfamoyloxypropanoate has a molecular weight of 259.28 g/mol, XLogP of -0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenyl-2-sulfamoyloxypropanoate is sourced from PubChem (CID 24761734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).