2-methoxyethyl 2-(3-chlorosulfonyl-4-methoxyphenyl)acetate

C12H15ClO6S — CID 65374498

IUPAC2-methoxyethyl 2-(3-chlorosulfonyl-4-methoxyphenyl)acetate
SMILESCOCCOC(=O)Cc1ccc(OC)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C12H15ClO6S/c1-17-5-6-19-12(14)8-9-3-4-10(18-2)11(7-9)20(13,15)16/h3-4,7H,5-6,8H2,1-2H3
InChIKeyLMNFAJHGZJGMCH-UHFFFAOYSA-N
MW322.77 g/mol
LogP1.35
Rot. Bonds7

About 2-methoxyethyl 2-(3-chlorosulfonyl-4-methoxyphenyl)acetate

2-methoxyethyl 2-(3-chlorosulfonyl-4-methoxyphenyl)acetate (PubChem CID 65374498) has the molecular formula C12H15ClO6S and a molecular weight of 322.77 g/mol. Its IUPAC name is 2-methoxyethyl 2-(3-chlorosulfonyl-4-methoxyphenyl)acetate.

Molecular Properties

Compound Name2-methoxyethyl 2-(3-chlorosulfonyl-4-methoxyphenyl)acetate
PubChem CID65374498
Molecular FormulaC12H15ClO6S
Molecular Weight322.77 g/mol
Exact Mass322.03
IUPAC Name2-methoxyethyl 2-(3-chlorosulfonyl-4-methoxyphenyl)acetate
SMILESCOCCOC(=O)Cc1ccc(OC)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C12H15ClO6S/c1-17-5-6-19-12(14)8-9-3-4-10(18-2)11(7-9)20(13,15)16/h3-4,7H,5-6,8H2,1-2H3
InChIKeyLMNFAJHGZJGMCH-UHFFFAOYSA-N
XLogP1.35
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-5-(2-oxopropyl)benzenesulfonyl chloride
CID 13106258
5-[2-(butylamino)-2-oxoethyl]-2-methoxybenzenesulfonyl chloride
CID 65367934
5-(2-chloroethyl)-2-methoxybenzenesulfonyl chloride
CID 18700405
2-methoxy-5-[2-(2-methoxypropylamino)-2-oxoethyl]benzenesulfonyl chloride
CID 102701097
5-acetyl-2-methoxybenzenesulfonyl chloride
CID 4737384
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667128
2-methoxy-5-[(3-methoxy-2-methylpropyl)carbamoyl]benzenesulfonyl chloride
CID 65397770
methoxymethyl 2-(4-hydroxy-3-methoxyphenyl)acetate
CID 121224875
3-chlorosulfonyl-4-(2-methoxyethoxy)benzoic acid
CID 43145264
2-methoxy-5-(propylcarbamoyl)benzenesulfonyl chloride
CID 65368631
N,N-diethyl-2-(4-methoxy-3-sulfamoylphenyl)acetamide
CID 65373612
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-(4-aminophenyl)acetate
CID 104563048

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-(3-chlorosulfonyl-4-methoxyphenyl)acetate?
The IUPAC name of 2-methoxyethyl 2-(3-chlorosulfonyl-4-methoxyphenyl)acetate (CID 65374498) is 2-methoxyethyl 2-(3-chlorosulfonyl-4-methoxyphenyl)acetate.
What is the SMILES notation for 2-methoxyethyl 2-(3-chlorosulfonyl-4-methoxyphenyl)acetate?
The canonical SMILES for 2-methoxyethyl 2-(3-chlorosulfonyl-4-methoxyphenyl)acetate is COCCOC(=O)Cc1ccc(OC)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 2-methoxyethyl 2-(3-chlorosulfonyl-4-methoxyphenyl)acetate?
The InChIKey is LMNFAJHGZJGMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO6S/c1-17-5-6-19-12(14)8-9-3-4-10(18-2)11(7-9)20(13,15)16/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 2-methoxyethyl 2-(3-chlorosulfonyl-4-methoxyphenyl)acetate?
2-methoxyethyl 2-(3-chlorosulfonyl-4-methoxyphenyl)acetate has a molecular weight of 322.77 g/mol, XLogP of 1.35, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-(3-chlorosulfonyl-4-methoxyphenyl)acetate is sourced from PubChem (CID 65374498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).