2-methoxyethyl 5-chlorosulfonyl-2-methylbenzoate

C11H13ClO5S — CID 65375266

IUPAC2-methoxyethyl 5-chlorosulfonyl-2-methylbenzoate
SMILESCOCCOC(=O)c1cc(S(=O)(=O)Cl)ccc1C
InChIInChI=1S/C11H13ClO5S/c1-8-3-4-9(18(12,14)15)7-10(8)11(13)17-6-5-16-2/h3-4,7H,5-6H2,1-2H3
InChIKeyFJTDIBXZNKEPSC-UHFFFAOYSA-N
MW292.74 g/mol
LogP1.73
Rot. Bonds5

About 2-methoxyethyl 5-chlorosulfonyl-2-methylbenzoate

2-methoxyethyl 5-chlorosulfonyl-2-methylbenzoate (PubChem CID 65375266) has the molecular formula C11H13ClO5S and a molecular weight of 292.74 g/mol. Its IUPAC name is 2-methoxyethyl 5-chlorosulfonyl-2-methylbenzoate.

Molecular Properties

Compound Name2-methoxyethyl 5-chlorosulfonyl-2-methylbenzoate
PubChem CID65375266
Molecular FormulaC11H13ClO5S
Molecular Weight292.74 g/mol
Exact Mass292.02
IUPAC Name2-methoxyethyl 5-chlorosulfonyl-2-methylbenzoate
SMILESCOCCOC(=O)c1cc(S(=O)(=O)Cl)ccc1C
InChIInChI=1S/C11H13ClO5S/c1-8-3-4-9(18(12,14)15)7-10(8)11(13)17-6-5-16-2/h3-4,7H,5-6H2,1-2H3
InChIKeyFJTDIBXZNKEPSC-UHFFFAOYSA-N
XLogP1.73
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 51.73
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

propyl 5-chlorosulfonyl-2-methylbenzoate
CID 65398255
butyl 5-chlorosulfonyl-2-methylbenzoate
CID 65397685
3-methoxypropyl 5-chlorosulfonyl-2-methoxybenzoate
CID 65397137
2-methoxyethyl 5-chlorosulfonyl-2,3-difluorobenzoate
CID 65374883
2-methoxyethyl 3-chlorosulfonylbenzoate
CID 16770984
2-methoxyethyl 3-chlorosulfonyl-5-methylbenzoate
CID 65375465
2-(2,6-dichlorophenoxy)ethyl 2-methyl-5-methylsulfonylbenzoate
CID 7849697
3-methylbutyl 5-chlorosulfonyl-2-methoxybenzoate
CID 65396581
2-methoxyethyl 2-chlorosulfonylbenzoate
CID 11572692
2-methoxyethyl 2-methoxy-5-sulfamoylbenzoate
CID 27910852
2-cyclopropylethyl 2-methyl-5-sulfamoylbenzoate
CID 103714805
propyl 5-chlorosulfonyl-2-ethoxybenzoate
CID 65395767

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 5-chlorosulfonyl-2-methylbenzoate?
The IUPAC name of 2-methoxyethyl 5-chlorosulfonyl-2-methylbenzoate (CID 65375266) is 2-methoxyethyl 5-chlorosulfonyl-2-methylbenzoate.
What is the SMILES notation for 2-methoxyethyl 5-chlorosulfonyl-2-methylbenzoate?
The canonical SMILES for 2-methoxyethyl 5-chlorosulfonyl-2-methylbenzoate is COCCOC(=O)c1cc(S(=O)(=O)Cl)ccc1C.
What is the InChIKey of 2-methoxyethyl 5-chlorosulfonyl-2-methylbenzoate?
The InChIKey is FJTDIBXZNKEPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO5S/c1-8-3-4-9(18(12,14)15)7-10(8)11(13)17-6-5-16-2/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 2-methoxyethyl 5-chlorosulfonyl-2-methylbenzoate?
2-methoxyethyl 5-chlorosulfonyl-2-methylbenzoate has a molecular weight of 292.74 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 5-chlorosulfonyl-2-methylbenzoate is sourced from PubChem (CID 65375266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).