ethyl 2-(ethylsulfonylamino)benzoate

C11H15NO4S — CID 896755

IUPACethyl 2-(ethylsulfonylamino)benzoate
SMILESCCOC(=O)c1ccccc1NS(=O)(=O)CC
InChIInChI=1S/C11H15NO4S/c1-3-16-11(13)9-7-5-6-8-10(9)12-17(14,15)4-2/h5-8,12H,3-4H2,1-2H3
InChIKeyZFTWUJAGOWIWTR-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.62
Rot. Bonds5

About ethyl 2-(ethylsulfonylamino)benzoate

ethyl 2-(ethylsulfonylamino)benzoate (PubChem CID 896755) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is ethyl 2-(ethylsulfonylamino)benzoate.

Molecular Properties

Compound Nameethyl 2-(ethylsulfonylamino)benzoate
PubChem CID896755
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Nameethyl 2-(ethylsulfonylamino)benzoate
SMILESCCOC(=O)c1ccccc1NS(=O)(=O)CC
InChIInChI=1S/C11H15NO4S/c1-3-16-11(13)9-7-5-6-8-10(9)12-17(14,15)4-2/h5-8,12H,3-4H2,1-2H3
InChIKeyZFTWUJAGOWIWTR-UHFFFAOYSA-N
XLogP1.62
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylsulfonylamino)benzoate?
The IUPAC name of ethyl 2-(ethylsulfonylamino)benzoate (CID 896755) is ethyl 2-(ethylsulfonylamino)benzoate.
What is the SMILES notation for ethyl 2-(ethylsulfonylamino)benzoate?
The canonical SMILES for ethyl 2-(ethylsulfonylamino)benzoate is CCOC(=O)c1ccccc1NS(=O)(=O)CC.
What is the InChIKey of ethyl 2-(ethylsulfonylamino)benzoate?
The InChIKey is ZFTWUJAGOWIWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-3-16-11(13)9-7-5-6-8-10(9)12-17(14,15)4-2/h5-8,12H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(ethylsulfonylamino)benzoate?
ethyl 2-(ethylsulfonylamino)benzoate has a molecular weight of 257.31 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylsulfonylamino)benzoate is sourced from PubChem (CID 896755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).