methyl 2-[2-(4-chlorophenyl)ethylsulfamoyl]acetate

C11H14ClNO4S — CID 102431071

IUPACmethyl 2-[2-(4-chlorophenyl)ethylsulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO4S/c1-17-11(14)8-18(15,16)13-7-6-9-2-4-10(12)5-3-9/h2-5,13H,6-8H2,1H3
InChIKeyOFWJZKXNCNZKQQ-UHFFFAOYSA-N
MW291.76 g/mol
LogP0.97
Rot. Bonds6

About methyl 2-[2-(4-chlorophenyl)ethylsulfamoyl]acetate

methyl 2-[2-(4-chlorophenyl)ethylsulfamoyl]acetate (PubChem CID 102431071) has the molecular formula C11H14ClNO4S and a molecular weight of 291.76 g/mol. Its IUPAC name is methyl 2-[2-(4-chlorophenyl)ethylsulfamoyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(4-chlorophenyl)ethylsulfamoyl]acetate
PubChem CID102431071
Molecular FormulaC11H14ClNO4S
Molecular Weight291.76 g/mol
Exact Mass291.03
IUPAC Namemethyl 2-[2-(4-chlorophenyl)ethylsulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO4S/c1-17-11(14)8-18(15,16)13-7-6-9-2-4-10(12)5-3-9/h2-5,13H,6-8H2,1H3
InChIKeyOFWJZKXNCNZKQQ-UHFFFAOYSA-N
XLogP0.97
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-chlorophenyl)ethylsulfamoyl]acetate?
The IUPAC name of methyl 2-[2-(4-chlorophenyl)ethylsulfamoyl]acetate (CID 102431071) is methyl 2-[2-(4-chlorophenyl)ethylsulfamoyl]acetate.
What is the SMILES notation for methyl 2-[2-(4-chlorophenyl)ethylsulfamoyl]acetate?
The canonical SMILES for methyl 2-[2-(4-chlorophenyl)ethylsulfamoyl]acetate is COC(=O)CS(=O)(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[2-(4-chlorophenyl)ethylsulfamoyl]acetate?
The InChIKey is OFWJZKXNCNZKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4S/c1-17-11(14)8-18(15,16)13-7-6-9-2-4-10(12)5-3-9/h2-5,13H,6-8H2,1H3.
What are the key properties of methyl 2-[2-(4-chlorophenyl)ethylsulfamoyl]acetate?
methyl 2-[2-(4-chlorophenyl)ethylsulfamoyl]acetate has a molecular weight of 291.76 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-chlorophenyl)ethylsulfamoyl]acetate is sourced from PubChem (CID 102431071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).