ethyl 2-sulfamoylbenzoate

C9H11NO4S — CID 4652880

IUPACethyl 2-sulfamoylbenzoate
SMILESCCOC(=O)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C9H11NO4S/c1-2-14-9(11)7-5-3-4-6-8(7)15(10,12)13/h3-6H,2H2,1H3,(H2,10,12,13)
InChIKeyCYFKZTWSLPKROH-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.51
Rot. Bonds3

About ethyl 2-sulfamoylbenzoate

ethyl 2-sulfamoylbenzoate (PubChem CID 4652880) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is ethyl 2-sulfamoylbenzoate.

Molecular Properties

Compound Nameethyl 2-sulfamoylbenzoate
PubChem CID4652880
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Nameethyl 2-sulfamoylbenzoate
SMILESCCOC(=O)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C9H11NO4S/c1-2-14-9(11)7-5-3-4-6-8(7)15(10,12)13/h3-6H,2H2,1H3,(H2,10,12,13)
InChIKeyCYFKZTWSLPKROH-UHFFFAOYSA-N
XLogP0.51
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-sulfamoylbenzoate?
The IUPAC name of ethyl 2-sulfamoylbenzoate (CID 4652880) is ethyl 2-sulfamoylbenzoate.
What is the SMILES notation for ethyl 2-sulfamoylbenzoate?
The canonical SMILES for ethyl 2-sulfamoylbenzoate is CCOC(=O)c1ccccc1S(N)(=O)=O.
What is the InChIKey of ethyl 2-sulfamoylbenzoate?
The InChIKey is CYFKZTWSLPKROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-2-14-9(11)7-5-3-4-6-8(7)15(10,12)13/h3-6H,2H2,1H3,(H2,10,12,13).
What are the key properties of ethyl 2-sulfamoylbenzoate?
ethyl 2-sulfamoylbenzoate has a molecular weight of 229.26 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-sulfamoylbenzoate is sourced from PubChem (CID 4652880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).