2-methoxyethyl 4-(difluoromethoxy)-2-sulfamoylbenzoate

C11H13F2NO6S — CID 57311871

IUPAC2-methoxyethyl 4-(difluoromethoxy)-2-sulfamoylbenzoate
SMILESCOCCOC(=O)c1ccc(OC(F)F)cc1S(N)(=O)=O
InChIInChI=1S/C11H13F2NO6S/c1-18-4-5-19-10(15)8-3-2-7(20-11(12)13)6-9(8)21(14,16)17/h2-3,6,11H,4-5H2,1H3,(H2,14,16,17)
InChIKeyVGSWSNNCFOOAJR-UHFFFAOYSA-N
MW325.29 g/mol
LogP0.74
Rot. Bonds7

About 2-methoxyethyl 4-(difluoromethoxy)-2-sulfamoylbenzoate

2-methoxyethyl 4-(difluoromethoxy)-2-sulfamoylbenzoate (PubChem CID 57311871) has the molecular formula C11H13F2NO6S and a molecular weight of 325.29 g/mol. Its IUPAC name is 2-methoxyethyl 4-(difluoromethoxy)-2-sulfamoylbenzoate.

Molecular Properties

Compound Name2-methoxyethyl 4-(difluoromethoxy)-2-sulfamoylbenzoate
PubChem CID57311871
Molecular FormulaC11H13F2NO6S
Molecular Weight325.29 g/mol
Exact Mass325.04
IUPAC Name2-methoxyethyl 4-(difluoromethoxy)-2-sulfamoylbenzoate
SMILESCOCCOC(=O)c1ccc(OC(F)F)cc1S(N)(=O)=O
InChIInChI=1S/C11H13F2NO6S/c1-18-4-5-19-10(15)8-3-2-7(20-11(12)13)6-9(8)21(14,16)17/h2-3,6,11H,4-5H2,1H3,(H2,14,16,17)
InChIKeyVGSWSNNCFOOAJR-UHFFFAOYSA-N
XLogP0.74
TPSA104.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-(difluoromethoxy)-2-sulfamoylbenzoate?
The IUPAC name of 2-methoxyethyl 4-(difluoromethoxy)-2-sulfamoylbenzoate (CID 57311871) is 2-methoxyethyl 4-(difluoromethoxy)-2-sulfamoylbenzoate.
What is the SMILES notation for 2-methoxyethyl 4-(difluoromethoxy)-2-sulfamoylbenzoate?
The canonical SMILES for 2-methoxyethyl 4-(difluoromethoxy)-2-sulfamoylbenzoate is COCCOC(=O)c1ccc(OC(F)F)cc1S(N)(=O)=O.
What is the InChIKey of 2-methoxyethyl 4-(difluoromethoxy)-2-sulfamoylbenzoate?
The InChIKey is VGSWSNNCFOOAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO6S/c1-18-4-5-19-10(15)8-3-2-7(20-11(12)13)6-9(8)21(14,16)17/h2-3,6,11H,4-5H2,1H3,(H2,14,16,17).
What are the key properties of 2-methoxyethyl 4-(difluoromethoxy)-2-sulfamoylbenzoate?
2-methoxyethyl 4-(difluoromethoxy)-2-sulfamoylbenzoate has a molecular weight of 325.29 g/mol, XLogP of 0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-(difluoromethoxy)-2-sulfamoylbenzoate is sourced from PubChem (CID 57311871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).