2-methoxyethyl 2-methoxy-5-sulfamoylbenzoate

C11H15NO6S — CID 27910852

IUPAC2-methoxyethyl 2-methoxy-5-sulfamoylbenzoate
SMILESCOCCOC(=O)c1cc(S(N)(=O)=O)ccc1OC
InChIInChI=1S/C11H15NO6S/c1-16-5-6-18-11(13)9-7-8(19(12,14)15)3-4-10(9)17-2/h3-4,7H,5-6H2,1-2H3,(H2,12,14,15)
InChIKeyLLRVEPPPEGYMLR-UHFFFAOYSA-N
MW289.31 g/mol
LogP0.15
Rot. Bonds6

About 2-methoxyethyl 2-methoxy-5-sulfamoylbenzoate

2-methoxyethyl 2-methoxy-5-sulfamoylbenzoate (PubChem CID 27910852) has the molecular formula C11H15NO6S and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-methoxyethyl 2-methoxy-5-sulfamoylbenzoate.

Molecular Properties

Compound Name2-methoxyethyl 2-methoxy-5-sulfamoylbenzoate
PubChem CID27910852
Molecular FormulaC11H15NO6S
Molecular Weight289.31 g/mol
Exact Mass289.06
IUPAC Name2-methoxyethyl 2-methoxy-5-sulfamoylbenzoate
SMILESCOCCOC(=O)c1cc(S(N)(=O)=O)ccc1OC
InChIInChI=1S/C11H15NO6S/c1-16-5-6-18-11(13)9-7-8(19(12,14)15)3-4-10(9)17-2/h3-4,7H,5-6H2,1-2H3,(H2,12,14,15)
InChIKeyLLRVEPPPEGYMLR-UHFFFAOYSA-N
XLogP0.15
TPSA104.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 50.15
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

3-methoxypropyl 5-chlorosulfonyl-2-methoxybenzoate
CID 65397137
2-methoxy-5-sulfamoylbenzamide;hydrochloride
CID 22748858
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
[2-oxo-2-(propan-2-ylamino)ethyl] 2-methoxy-5-sulfamoylbenzoate
CID 7467931
(4-carbamoylphenyl)methyl 2-methoxy-5-sulfamoylbenzoate
CID 26961268
2-methylpentyl 2-methoxy-5-sulfamoylbenzoate
CID 103286167
(2,6-dichlorophenyl)methyl 2-methoxy-5-sulfamoylbenzoate
CID 7890719
(3-methoxyphenyl)methyl 2-methoxy-5-sulfamoylbenzoate
CID 16570421
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 16518351
[2-oxo-2-(2-phenoxyethylamino)ethyl] 2-methoxy-5-sulfamoylbenzoate
CID 8569114
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 7467900
propyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate
CID 26864927

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-methoxy-5-sulfamoylbenzoate?
The IUPAC name of 2-methoxyethyl 2-methoxy-5-sulfamoylbenzoate (CID 27910852) is 2-methoxyethyl 2-methoxy-5-sulfamoylbenzoate.
What is the SMILES notation for 2-methoxyethyl 2-methoxy-5-sulfamoylbenzoate?
The canonical SMILES for 2-methoxyethyl 2-methoxy-5-sulfamoylbenzoate is COCCOC(=O)c1cc(S(N)(=O)=O)ccc1OC.
What is the InChIKey of 2-methoxyethyl 2-methoxy-5-sulfamoylbenzoate?
The InChIKey is LLRVEPPPEGYMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6S/c1-16-5-6-18-11(13)9-7-8(19(12,14)15)3-4-10(9)17-2/h3-4,7H,5-6H2,1-2H3,(H2,12,14,15).
What are the key properties of 2-methoxyethyl 2-methoxy-5-sulfamoylbenzoate?
2-methoxyethyl 2-methoxy-5-sulfamoylbenzoate has a molecular weight of 289.31 g/mol, XLogP of 0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-methoxy-5-sulfamoylbenzoate is sourced from PubChem (CID 27910852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).