ethyl 4-(dimethylsulfamoyl)benzoate

C11H15NO4S — CID 720790

IUPACethyl 4-(dimethylsulfamoyl)benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C11H15NO4S/c1-4-16-11(13)9-5-7-10(8-6-9)17(14,15)12(2)3/h5-8H,4H2,1-3H3
InChIKeyWKXHGFBQMXSDSH-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.11
Rot. Bonds4

About ethyl 4-(dimethylsulfamoyl)benzoate

ethyl 4-(dimethylsulfamoyl)benzoate (PubChem CID 720790) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is ethyl 4-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Nameethyl 4-(dimethylsulfamoyl)benzoate
PubChem CID720790
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Nameethyl 4-(dimethylsulfamoyl)benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C11H15NO4S/c1-4-16-11(13)9-5-7-10(8-6-9)17(14,15)12(2)3/h5-8H,4H2,1-3H3
InChIKeyWKXHGFBQMXSDSH-UHFFFAOYSA-N
XLogP1.11
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(dimethylsulfamoyl)benzoate?
The IUPAC name of ethyl 4-(dimethylsulfamoyl)benzoate (CID 720790) is ethyl 4-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for ethyl 4-(dimethylsulfamoyl)benzoate?
The canonical SMILES for ethyl 4-(dimethylsulfamoyl)benzoate is CCOC(=O)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of ethyl 4-(dimethylsulfamoyl)benzoate?
The InChIKey is WKXHGFBQMXSDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-4-16-11(13)9-5-7-10(8-6-9)17(14,15)12(2)3/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 4-(dimethylsulfamoyl)benzoate?
ethyl 4-(dimethylsulfamoyl)benzoate has a molecular weight of 257.31 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 720790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).