2-methoxyethyl 2-chlorosulfonylbenzoate

C10H11ClO5S — CID 11572692

IUPAC2-methoxyethyl 2-chlorosulfonylbenzoate
SMILESCOCCOC(=O)c1ccccc1S(=O)(=O)Cl
InChIInChI=1S/C10H11ClO5S/c1-15-6-7-16-10(12)8-4-2-3-5-9(8)17(11,13)14/h2-5H,6-7H2,1H3
InChIKeyUBCBNFCUEQKNHY-UHFFFAOYSA-N
MW278.71 g/mol
LogP1.42
Rot. Bonds5

About 2-methoxyethyl 2-chlorosulfonylbenzoate

2-methoxyethyl 2-chlorosulfonylbenzoate (PubChem CID 11572692) has the molecular formula C10H11ClO5S and a molecular weight of 278.71 g/mol. Its IUPAC name is 2-methoxyethyl 2-chlorosulfonylbenzoate.

Molecular Properties

Compound Name2-methoxyethyl 2-chlorosulfonylbenzoate
PubChem CID11572692
Molecular FormulaC10H11ClO5S
Molecular Weight278.71 g/mol
Exact Mass278.00
IUPAC Name2-methoxyethyl 2-chlorosulfonylbenzoate
SMILESCOCCOC(=O)c1ccccc1S(=O)(=O)Cl
InChIInChI=1S/C10H11ClO5S/c1-15-6-7-16-10(12)8-4-2-3-5-9(8)17(11,13)14/h2-5H,6-7H2,1H3
InChIKeyUBCBNFCUEQKNHY-UHFFFAOYSA-N
XLogP1.42
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

heptyl 2-chlorosulfonylbenzoate
CID 87744508
2-(2-methoxyethyl)benzenesulfonyl chloride
CID 102853291
bis(4-methoxybutyl) benzene-1,2-dicarboxylate
CID 57031547
2-(2-methoxyethoxy)benzenesulfonyl chloride
CID 75466193
2-methoxyethyl 5-chlorosulfonyl-2-methylbenzoate
CID 65375266
1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate
CID 153260877
methyl 2-(aminomethylsulfonyl)benzoate
CID 71067036
potassium 2-propoxycarbonylbenzenesulfonate
CID 87060428
2-methoxyethyl 5-chlorosulfonyl-2,3-difluorobenzoate
CID 65374883
2-methoxyethyl 3-chlorosulfonyl-2,6-difluorobenzoate
CID 65373920
1-O-hexadecyl 2-O-(2-methoxyethyl) benzene-1,2-dicarboxylate
CID 6423568
2-O-[tert-butyl(dimethyl)silyl] 1-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate
CID 91694142

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-chlorosulfonylbenzoate?
The IUPAC name of 2-methoxyethyl 2-chlorosulfonylbenzoate (CID 11572692) is 2-methoxyethyl 2-chlorosulfonylbenzoate.
What is the SMILES notation for 2-methoxyethyl 2-chlorosulfonylbenzoate?
The canonical SMILES for 2-methoxyethyl 2-chlorosulfonylbenzoate is COCCOC(=O)c1ccccc1S(=O)(=O)Cl.
What is the InChIKey of 2-methoxyethyl 2-chlorosulfonylbenzoate?
The InChIKey is UBCBNFCUEQKNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO5S/c1-15-6-7-16-10(12)8-4-2-3-5-9(8)17(11,13)14/h2-5H,6-7H2,1H3.
What are the key properties of 2-methoxyethyl 2-chlorosulfonylbenzoate?
2-methoxyethyl 2-chlorosulfonylbenzoate has a molecular weight of 278.71 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-chlorosulfonylbenzoate is sourced from PubChem (CID 11572692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).