2-methoxyethyl 4-[(3,5-dichlorophenyl)sulfonylmethyl]-2-hydroxybenzoate

C17H16Cl2O6S — CID 159931860

IUPAC2-methoxyethyl 4-[(3,5-dichlorophenyl)sulfonylmethyl]-2-hydroxybenzoate
SMILESCOCCOC(=O)c1ccc(CS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1O
InChIInChI=1S/C17H16Cl2O6S/c1-24-4-5-25-17(21)15-3-2-11(6-16(15)20)10-26(22,23)14-8-12(18)7-13(19)9-14/h2-3,6-9,20H,4-5,10H2,1H3
InChIKeyNZSZGMQENDXPJB-UHFFFAOYSA-N
MW419.28 g/mol
LogP3.48
Rot. Bonds7

About 2-methoxyethyl 4-[(3,5-dichlorophenyl)sulfonylmethyl]-2-hydroxybenzoate

2-methoxyethyl 4-[(3,5-dichlorophenyl)sulfonylmethyl]-2-hydroxybenzoate (PubChem CID 159931860) has the molecular formula C17H16Cl2O6S and a molecular weight of 419.28 g/mol. Its IUPAC name is 2-methoxyethyl 4-[(3,5-dichlorophenyl)sulfonylmethyl]-2-hydroxybenzoate.

Molecular Properties

Compound Name2-methoxyethyl 4-[(3,5-dichlorophenyl)sulfonylmethyl]-2-hydroxybenzoate
PubChem CID159931860
Molecular FormulaC17H16Cl2O6S
Molecular Weight419.28 g/mol
Exact Mass418.00
IUPAC Name2-methoxyethyl 4-[(3,5-dichlorophenyl)sulfonylmethyl]-2-hydroxybenzoate
SMILESCOCCOC(=O)c1ccc(CS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1O
InChIInChI=1S/C17H16Cl2O6S/c1-24-4-5-25-17(21)15-3-2-11(6-16(15)20)10-26(22,23)14-8-12(18)7-13(19)9-14/h2-3,6-9,20H,4-5,10H2,1H3
InChIKeyNZSZGMQENDXPJB-UHFFFAOYSA-N
XLogP3.48
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.28
LogP ≤ 53.48
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

2-(2-hydroxyethoxy)ethyl 4-[(2,5-dichlorothiophen-3-yl)sulfonylmethyl]-2-hydroxybenzoate
CID 153027272
2-methoxyethyl 2,5-dichloro-3-sulfamoylbenzoate
CID 65380265
methyl 4-[(2,5-dichloro-4-methylthiophen-3-yl)sulfonylmethyl]-2-hydroxybenzoate
CID 159907059
2-methoxyethyl 4-chloro-2-hydroperoxybenzoate;vanadium
CID 150366531
3-(4-methylpiperazin-1-yl)propyl 4-[(4,5-dichlorothiophen-2-yl)sulfonylmethyl]-2-hydroxybenzoate
CID 158874140
2-methoxybutyl 4-[(4,5-dichlorothiophen-2-yl)sulfonylmethyl]-2-hydroxybenzoate
CID 149089166
methyl 4-[[3-(3-ethoxyphenyl)phenyl]sulfonylmethyl]-2-hydroxybenzoate
CID 153236385
methyl 2-hydroxy-4-[[3-[2-(hydroxymethyl)phenyl]phenyl]sulfonylmethyl]benzoate
CID 148692278
2-(4-hydroxyphenyl)ethyl 2,4-dihydroxybenzoate
CID 139593761
3-morpholin-4-ylpropyl 4-[(4,5-dichlorothiophen-2-yl)sulfonylmethyl]-2-hydroxybenzoate
CID 159252012
methyl 4-[[4-(3-aminophenyl)-5-chlorothiophen-2-yl]sulfonylmethyl]-2-hydroxybenzoate
CID 158738067
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,5-dichlorobenzoate
CID 101066319

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-[(3,5-dichlorophenyl)sulfonylmethyl]-2-hydroxybenzoate?
The IUPAC name of 2-methoxyethyl 4-[(3,5-dichlorophenyl)sulfonylmethyl]-2-hydroxybenzoate (CID 159931860) is 2-methoxyethyl 4-[(3,5-dichlorophenyl)sulfonylmethyl]-2-hydroxybenzoate.
What is the SMILES notation for 2-methoxyethyl 4-[(3,5-dichlorophenyl)sulfonylmethyl]-2-hydroxybenzoate?
The canonical SMILES for 2-methoxyethyl 4-[(3,5-dichlorophenyl)sulfonylmethyl]-2-hydroxybenzoate is COCCOC(=O)c1ccc(CS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1O.
What is the InChIKey of 2-methoxyethyl 4-[(3,5-dichlorophenyl)sulfonylmethyl]-2-hydroxybenzoate?
The InChIKey is NZSZGMQENDXPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O6S/c1-24-4-5-25-17(21)15-3-2-11(6-16(15)20)10-26(22,23)14-8-12(18)7-13(19)9-14/h2-3,6-9,20H,4-5,10H2,1H3.
What are the key properties of 2-methoxyethyl 4-[(3,5-dichlorophenyl)sulfonylmethyl]-2-hydroxybenzoate?
2-methoxyethyl 4-[(3,5-dichlorophenyl)sulfonylmethyl]-2-hydroxybenzoate has a molecular weight of 419.28 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-[(3,5-dichlorophenyl)sulfonylmethyl]-2-hydroxybenzoate is sourced from PubChem (CID 159931860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).