ethyl 2-[(2-chlorophenyl)sulfonylcarbamoylamino]acetate

C11H13ClN2O5S — CID 134112880

IUPACethyl 2-[(2-chlorophenyl)sulfonylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C11H13ClN2O5S/c1-2-19-10(15)7-13-11(16)14-20(17,18)9-6-4-3-5-8(9)12/h3-6H,2,7H2,1H3,(H2,13,14,16)
InChIKeyBTOZJYUOICNPHY-UHFFFAOYSA-N
MW320.75 g/mol
LogP0.89
Rot. Bonds5

About ethyl 2-[(2-chlorophenyl)sulfonylcarbamoylamino]acetate

ethyl 2-[(2-chlorophenyl)sulfonylcarbamoylamino]acetate (PubChem CID 134112880) has the molecular formula C11H13ClN2O5S and a molecular weight of 320.75 g/mol. Its IUPAC name is ethyl 2-[(2-chlorophenyl)sulfonylcarbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-chlorophenyl)sulfonylcarbamoylamino]acetate
PubChem CID134112880
Molecular FormulaC11H13ClN2O5S
Molecular Weight320.75 g/mol
Exact Mass320.02
IUPAC Nameethyl 2-[(2-chlorophenyl)sulfonylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C11H13ClN2O5S/c1-2-19-10(15)7-13-11(16)14-20(17,18)9-6-4-3-5-8(9)12/h3-6H,2,7H2,1H3,(H2,13,14,16)
InChIKeyBTOZJYUOICNPHY-UHFFFAOYSA-N
XLogP0.89
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate
CID 95561819
ethyl 2-[(3-chloro-2-methylphenyl)sulfonylamino]acetate
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CID 2931083
methyl 3-[(2-methylphenyl)sulfonylcarbamoylamino]propanoate
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1-(2-chlorophenyl)-3-(2-chlorophenyl)sulfonylurea
CID 744684
1-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(2-chlorophenyl)sulfonylurea
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ethyl 2-(2-chloro-6-methylanilino)acetate
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ethyl 2-[(2-ethoxy-2-oxoethyl)sulfamoyl]benzoate
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ethyl 2-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]acetate
CID 47103192

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-chlorophenyl)sulfonylcarbamoylamino]acetate?
The IUPAC name of ethyl 2-[(2-chlorophenyl)sulfonylcarbamoylamino]acetate (CID 134112880) is ethyl 2-[(2-chlorophenyl)sulfonylcarbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-chlorophenyl)sulfonylcarbamoylamino]acetate?
The canonical SMILES for ethyl 2-[(2-chlorophenyl)sulfonylcarbamoylamino]acetate is CCOC(=O)CNC(=O)NS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of ethyl 2-[(2-chlorophenyl)sulfonylcarbamoylamino]acetate?
The InChIKey is BTOZJYUOICNPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O5S/c1-2-19-10(15)7-13-11(16)14-20(17,18)9-6-4-3-5-8(9)12/h3-6H,2,7H2,1H3,(H2,13,14,16).
What are the key properties of ethyl 2-[(2-chlorophenyl)sulfonylcarbamoylamino]acetate?
ethyl 2-[(2-chlorophenyl)sulfonylcarbamoylamino]acetate has a molecular weight of 320.75 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-chlorophenyl)sulfonylcarbamoylamino]acetate is sourced from PubChem (CID 134112880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).