methyl 2-[4-[(4-carbamoylphenyl)sulfamoyl]-2-chlorophenoxy]acetate

C16H15ClN2O6S — CID 1298081

IUPACmethyl 2-[4-[(4-carbamoylphenyl)sulfamoyl]-2-chlorophenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1Cl
InChIInChI=1S/C16H15ClN2O6S/c1-24-15(20)9-25-14-7-6-12(8-13(14)17)26(22,23)19-11-4-2-10(3-5-11)16(18)21/h2-8,19H,9H2,1H3,(H2,18,21)
InChIKeyPWSHBJCGYIYFPT-UHFFFAOYSA-N
MW398.82 g/mol
LogP1.79
Rot. Bonds7

About methyl 2-[4-[(4-carbamoylphenyl)sulfamoyl]-2-chlorophenoxy]acetate

methyl 2-[4-[(4-carbamoylphenyl)sulfamoyl]-2-chlorophenoxy]acetate (PubChem CID 1298081) has the molecular formula C16H15ClN2O6S and a molecular weight of 398.82 g/mol. Its IUPAC name is methyl 2-[4-[(4-carbamoylphenyl)sulfamoyl]-2-chlorophenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(4-carbamoylphenyl)sulfamoyl]-2-chlorophenoxy]acetate
PubChem CID1298081
Molecular FormulaC16H15ClN2O6S
Molecular Weight398.82 g/mol
Exact Mass398.03
IUPAC Namemethyl 2-[4-[(4-carbamoylphenyl)sulfamoyl]-2-chlorophenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1Cl
InChIInChI=1S/C16H15ClN2O6S/c1-24-15(20)9-25-14-7-6-12(8-13(14)17)26(22,23)19-11-4-2-10(3-5-11)16(18)21/h2-8,19H,9H2,1H3,(H2,18,21)
InChIKeyPWSHBJCGYIYFPT-UHFFFAOYSA-N
XLogP1.79
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.82
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(4-carbamoylphenyl)sulfamoyl]-2-chlorophenoxy]acetate?
The IUPAC name of methyl 2-[4-[(4-carbamoylphenyl)sulfamoyl]-2-chlorophenoxy]acetate (CID 1298081) is methyl 2-[4-[(4-carbamoylphenyl)sulfamoyl]-2-chlorophenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[(4-carbamoylphenyl)sulfamoyl]-2-chlorophenoxy]acetate?
The canonical SMILES for methyl 2-[4-[(4-carbamoylphenyl)sulfamoyl]-2-chlorophenoxy]acetate is COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1Cl.
What is the InChIKey of methyl 2-[4-[(4-carbamoylphenyl)sulfamoyl]-2-chlorophenoxy]acetate?
The InChIKey is PWSHBJCGYIYFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O6S/c1-24-15(20)9-25-14-7-6-12(8-13(14)17)26(22,23)19-11-4-2-10(3-5-11)16(18)21/h2-8,19H,9H2,1H3,(H2,18,21).
What are the key properties of methyl 2-[4-[(4-carbamoylphenyl)sulfamoyl]-2-chlorophenoxy]acetate?
methyl 2-[4-[(4-carbamoylphenyl)sulfamoyl]-2-chlorophenoxy]acetate has a molecular weight of 398.82 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(4-carbamoylphenyl)sulfamoyl]-2-chlorophenoxy]acetate is sourced from PubChem (CID 1298081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).