methyl 2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]acetate

C12H16ClNO6S — CID 2207174

IUPACmethyl 2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]acetate
SMILESCOCCNS(=O)(=O)c1ccc(OCC(=O)OC)c(Cl)c1
InChIInChI=1S/C12H16ClNO6S/c1-18-6-5-14-21(16,17)9-3-4-11(10(13)7-9)20-8-12(15)19-2/h3-4,7,14H,5-6,8H2,1-2H3
InChIKeyBVDKZJSFMBGFLJ-UHFFFAOYSA-N
MW337.78 g/mol
LogP0.82
Rot. Bonds8

About methyl 2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]acetate

methyl 2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]acetate (PubChem CID 2207174) has the molecular formula C12H16ClNO6S and a molecular weight of 337.78 g/mol. Its IUPAC name is methyl 2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]acetate
PubChem CID2207174
Molecular FormulaC12H16ClNO6S
Molecular Weight337.78 g/mol
Exact Mass337.04
IUPAC Namemethyl 2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]acetate
SMILESCOCCNS(=O)(=O)c1ccc(OCC(=O)OC)c(Cl)c1
InChIInChI=1S/C12H16ClNO6S/c1-18-6-5-14-21(16,17)9-3-4-11(10(13)7-9)20-8-12(15)19-2/h3-4,7,14H,5-6,8H2,1-2H3
InChIKeyBVDKZJSFMBGFLJ-UHFFFAOYSA-N
XLogP0.82
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]acetate?
The IUPAC name of methyl 2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]acetate (CID 2207174) is methyl 2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]acetate.
What is the SMILES notation for methyl 2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]acetate?
The canonical SMILES for methyl 2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]acetate is COCCNS(=O)(=O)c1ccc(OCC(=O)OC)c(Cl)c1.
What is the InChIKey of methyl 2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]acetate?
The InChIKey is BVDKZJSFMBGFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO6S/c1-18-6-5-14-21(16,17)9-3-4-11(10(13)7-9)20-8-12(15)19-2/h3-4,7,14H,5-6,8H2,1-2H3.
What are the key properties of methyl 2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]acetate?
methyl 2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]acetate has a molecular weight of 337.78 g/mol, XLogP of 0.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]acetate is sourced from PubChem (CID 2207174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).