methyl 3-[2-(2-methoxyphenoxy)ethylsulfamoyl]benzoate

C17H19NO6S — CID 100552162

IUPACmethyl 3-[2-(2-methoxyphenoxy)ethylsulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)NCCOc2ccccc2OC)c1
InChIInChI=1S/C17H19NO6S/c1-22-15-8-3-4-9-16(15)24-11-10-18-25(20,21)14-7-5-6-13(12-14)17(19)23-2/h3-9,12,18H,10-11H2,1-2H3
InChIKeyGKBPOYZRNPNDEG-UHFFFAOYSA-N
MW365.41 g/mol
LogP1.84
Rot. Bonds8

About methyl 3-[2-(2-methoxyphenoxy)ethylsulfamoyl]benzoate

methyl 3-[2-(2-methoxyphenoxy)ethylsulfamoyl]benzoate (PubChem CID 100552162) has the molecular formula C17H19NO6S and a molecular weight of 365.41 g/mol. Its IUPAC name is methyl 3-[2-(2-methoxyphenoxy)ethylsulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[2-(2-methoxyphenoxy)ethylsulfamoyl]benzoate
PubChem CID100552162
Molecular FormulaC17H19NO6S
Molecular Weight365.41 g/mol
Exact Mass365.09
IUPAC Namemethyl 3-[2-(2-methoxyphenoxy)ethylsulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)NCCOc2ccccc2OC)c1
InChIInChI=1S/C17H19NO6S/c1-22-15-8-3-4-9-16(15)24-11-10-18-25(20,21)14-7-5-6-13(12-14)17(19)23-2/h3-9,12,18H,10-11H2,1-2H3
InChIKeyGKBPOYZRNPNDEG-UHFFFAOYSA-N
XLogP1.84
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 51.84
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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Related Compounds

methyl 3-(2-phenoxyethylsulfamoyl)benzoate
CID 35609145
methyl 3-[2-(3-methoxyphenoxy)ethylsulfamoyl]benzoate
CID 34111692
methyl 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]benzoate
CID 31701712
3-[(3-methoxycarbonylphenyl)sulfonylamino]propanoic acid
CID 43093020
methyl 3-[3-(3-methylphenoxy)propylsulfamoyl]benzoate
CID 31769281
methyl 3-[3-(methylamino)propylsulfamoyl]benzoate
CID 43605987
methyl 3-(3-hydroxybutylsulfamoyl)benzoate
CID 64913335
methyl 3-[[(E)-pent-3-enyl]sulfamoyl]benzoate
CID 115628671
methyl 3-[2-(N-methylanilino)ethylsulfamoyl]benzoate
CID 94612911
methyl 3-(methoxymethylsulfonyl)benzoate
CID 170742316
(2S)-2-hydroxy-4-[(3-methoxycarbonylphenyl)sulfonylamino]butanoic acid
CID 104933997
methyl 3-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]benzoate
CID 31760778

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(2-methoxyphenoxy)ethylsulfamoyl]benzoate?
The IUPAC name of methyl 3-[2-(2-methoxyphenoxy)ethylsulfamoyl]benzoate (CID 100552162) is methyl 3-[2-(2-methoxyphenoxy)ethylsulfamoyl]benzoate.
What is the SMILES notation for methyl 3-[2-(2-methoxyphenoxy)ethylsulfamoyl]benzoate?
The canonical SMILES for methyl 3-[2-(2-methoxyphenoxy)ethylsulfamoyl]benzoate is COC(=O)c1cccc(S(=O)(=O)NCCOc2ccccc2OC)c1.
What is the InChIKey of methyl 3-[2-(2-methoxyphenoxy)ethylsulfamoyl]benzoate?
The InChIKey is GKBPOYZRNPNDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6S/c1-22-15-8-3-4-9-16(15)24-11-10-18-25(20,21)14-7-5-6-13(12-14)17(19)23-2/h3-9,12,18H,10-11H2,1-2H3.
What are the key properties of methyl 3-[2-(2-methoxyphenoxy)ethylsulfamoyl]benzoate?
methyl 3-[2-(2-methoxyphenoxy)ethylsulfamoyl]benzoate has a molecular weight of 365.41 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(2-methoxyphenoxy)ethylsulfamoyl]benzoate is sourced from PubChem (CID 100552162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).