ethyl 2-[(2-ethoxy-2-oxoethyl)sulfamoyl]benzoate

C13H17NO6S — CID 12634204

IUPACethyl 2-[(2-ethoxy-2-oxoethyl)sulfamoyl]benzoate
SMILESCCOC(=O)CNS(=O)(=O)c1ccccc1C(=O)OCC
InChIInChI=1S/C13H17NO6S/c1-3-19-12(15)9-14-21(17,18)11-8-6-5-7-10(11)13(16)20-4-2/h5-8,14H,3-4,9H2,1-2H3
InChIKeyCRLLXUSPORALCW-UHFFFAOYSA-N
MW315.35 g/mol
LogP0.70
Rot. Bonds7

About ethyl 2-[(2-ethoxy-2-oxoethyl)sulfamoyl]benzoate

ethyl 2-[(2-ethoxy-2-oxoethyl)sulfamoyl]benzoate (PubChem CID 12634204) has the molecular formula C13H17NO6S and a molecular weight of 315.35 g/mol. Its IUPAC name is ethyl 2-[(2-ethoxy-2-oxoethyl)sulfamoyl]benzoate.

Molecular Properties

Compound Nameethyl 2-[(2-ethoxy-2-oxoethyl)sulfamoyl]benzoate
PubChem CID12634204
Molecular FormulaC13H17NO6S
Molecular Weight315.35 g/mol
Exact Mass315.08
IUPAC Nameethyl 2-[(2-ethoxy-2-oxoethyl)sulfamoyl]benzoate
SMILESCCOC(=O)CNS(=O)(=O)c1ccccc1C(=O)OCC
InChIInChI=1S/C13H17NO6S/c1-3-19-12(15)9-14-21(17,18)11-8-6-5-7-10(11)13(16)20-4-2/h5-8,14H,3-4,9H2,1-2H3
InChIKeyCRLLXUSPORALCW-UHFFFAOYSA-N
XLogP0.70
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(ethylsulfamoyl)benzoate
CID 18338374
ethyl 2-[(3-chloro-2-methylphenyl)sulfonylamino]acetate
CID 54921197
ethyl 2-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]acetate
CID 60845011
2-[(2-ethoxycarbonylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 122067850
methyl 2-[(2-anilino-2-oxoethyl)sulfamoyl]benzoate
CID 12857942
ethyl 2-[(2-amino-4-chlorophenyl)sulfonylamino]acetate
CID 60812241
methyl 2-(2-aminoethylsulfamoyl)benzoate
CID 43603433
ethyl 2-[(5-chloro-2-methylphenyl)sulfonylamino]acetate
CID 54921322
methyl 2-[2-(ethylamino)ethylsulfamoyl]benzoate
CID 62662795
methyl 4-[(2-ethoxy-2-oxoethyl)sulfamoyl]benzoate
CID 60817086
ethyl 2-[(3-hydroxyphenyl)sulfonylamino]acetate
CID 81258635
methyl 2-(2-ethylbutylsulfamoyl)benzoate
CID 115753533

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-ethoxy-2-oxoethyl)sulfamoyl]benzoate?
The IUPAC name of ethyl 2-[(2-ethoxy-2-oxoethyl)sulfamoyl]benzoate (CID 12634204) is ethyl 2-[(2-ethoxy-2-oxoethyl)sulfamoyl]benzoate.
What is the SMILES notation for ethyl 2-[(2-ethoxy-2-oxoethyl)sulfamoyl]benzoate?
The canonical SMILES for ethyl 2-[(2-ethoxy-2-oxoethyl)sulfamoyl]benzoate is CCOC(=O)CNS(=O)(=O)c1ccccc1C(=O)OCC.
What is the InChIKey of ethyl 2-[(2-ethoxy-2-oxoethyl)sulfamoyl]benzoate?
The InChIKey is CRLLXUSPORALCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO6S/c1-3-19-12(15)9-14-21(17,18)11-8-6-5-7-10(11)13(16)20-4-2/h5-8,14H,3-4,9H2,1-2H3.
What are the key properties of ethyl 2-[(2-ethoxy-2-oxoethyl)sulfamoyl]benzoate?
ethyl 2-[(2-ethoxy-2-oxoethyl)sulfamoyl]benzoate has a molecular weight of 315.35 g/mol, XLogP of 0.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-ethoxy-2-oxoethyl)sulfamoyl]benzoate is sourced from PubChem (CID 12634204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).