methyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate

C17H19NO7S — CID 1314194

IUPACmethyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C17H19NO7S/c1-22-13-6-9-16(23-2)15(10-13)18-26(20,21)14-7-4-12(5-8-14)25-11-17(19)24-3/h4-10,18H,11H2,1-3H3
InChIKeyMTTDHCDVORZJPJ-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.06
Rot. Bonds8

About methyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate

methyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate (PubChem CID 1314194) has the molecular formula C17H19NO7S and a molecular weight of 381.41 g/mol. Its IUPAC name is methyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate
PubChem CID1314194
Molecular FormulaC17H19NO7S
Molecular Weight381.41 g/mol
Exact Mass381.09
IUPAC Namemethyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C17H19NO7S/c1-22-13-6-9-16(23-2)15(10-13)18-26(20,21)14-7-4-12(5-8-14)25-11-17(19)24-3/h4-10,18H,11H2,1-3H3
InChIKeyMTTDHCDVORZJPJ-UHFFFAOYSA-N
XLogP2.06
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate (CID 1314194) is methyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate is COC(=O)COc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1.
What is the InChIKey of methyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate?
The InChIKey is MTTDHCDVORZJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO7S/c1-22-13-6-9-16(23-2)15(10-13)18-26(20,21)14-7-4-12(5-8-14)25-11-17(19)24-3/h4-10,18H,11H2,1-3H3.
What are the key properties of methyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate?
methyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate has a molecular weight of 381.41 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate is sourced from PubChem (CID 1314194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).