ethyl 2-(ethylsulfamoyl)benzoate

C11H15NO4S — CID 18338374

IUPACethyl 2-(ethylsulfamoyl)benzoate
SMILESCCNS(=O)(=O)c1ccccc1C(=O)OCC
InChIInChI=1S/C11H15NO4S/c1-3-12-17(14,15)10-8-6-5-7-9(10)11(13)16-4-2/h5-8,12H,3-4H2,1-2H3
InChIKeyGCLCSGWUNDRVBJ-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.16
Rot. Bonds5

About ethyl 2-(ethylsulfamoyl)benzoate

ethyl 2-(ethylsulfamoyl)benzoate (PubChem CID 18338374) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is ethyl 2-(ethylsulfamoyl)benzoate.

Molecular Properties

Compound Nameethyl 2-(ethylsulfamoyl)benzoate
PubChem CID18338374
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Nameethyl 2-(ethylsulfamoyl)benzoate
SMILESCCNS(=O)(=O)c1ccccc1C(=O)OCC
InChIInChI=1S/C11H15NO4S/c1-3-12-17(14,15)10-8-6-5-7-9(10)11(13)16-4-2/h5-8,12H,3-4H2,1-2H3
InChIKeyGCLCSGWUNDRVBJ-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2-ethoxy-2-oxoethyl)sulfamoyl]benzoate
CID 12634204
2-(ethylsulfamoyl)benzoic acid
CID 18725198
2-[(2-ethoxycarbonylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 122067850
ethyl 4-(ethylsulfamoyl)-3-methylbenzoate
CID 54478555
methyl 2-(2-aminoethylsulfamoyl)benzoate
CID 43603433
methyl 2-[2-(ethylamino)ethylsulfamoyl]benzoate
CID 62662795
methyl 2-(2-ethylbutylsulfamoyl)benzoate
CID 115753533
diethyl benzene-1,2-dicarboxylate;2-methylbenzenesulfonic acid;methylphosphane
CID 174842450
methyl 2-[(2-anilino-2-oxoethyl)sulfamoyl]benzoate
CID 12857942
methyl 2-[(1-methylcyclopropyl)methylsulfamoyl]benzoate
CID 103836700
ethyl 4-(ethylsulfamoyl)-1,5-dimethylpyrrole-2-carboxylate
CID 53069179
2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate
CID 154139708

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylsulfamoyl)benzoate?
The IUPAC name of ethyl 2-(ethylsulfamoyl)benzoate (CID 18338374) is ethyl 2-(ethylsulfamoyl)benzoate.
What is the SMILES notation for ethyl 2-(ethylsulfamoyl)benzoate?
The canonical SMILES for ethyl 2-(ethylsulfamoyl)benzoate is CCNS(=O)(=O)c1ccccc1C(=O)OCC.
What is the InChIKey of ethyl 2-(ethylsulfamoyl)benzoate?
The InChIKey is GCLCSGWUNDRVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-3-12-17(14,15)10-8-6-5-7-9(10)11(13)16-4-2/h5-8,12H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(ethylsulfamoyl)benzoate?
ethyl 2-(ethylsulfamoyl)benzoate has a molecular weight of 257.31 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylsulfamoyl)benzoate is sourced from PubChem (CID 18338374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).