2-methoxyethyl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate

C9H11ClO5S2 — CID 112676797

IUPAC2-methoxyethyl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate
SMILESCOCCOC(=O)c1cc(S(=O)(=O)Cl)c(C)s1
InChIInChI=1S/C9H11ClO5S2/c1-6-8(17(10,12)13)5-7(16-6)9(11)15-4-3-14-2/h5H,3-4H2,1-2H3
InChIKeyAPHMKAHWAGKSKY-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.79
Rot. Bonds5

About 2-methoxyethyl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate

2-methoxyethyl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate (PubChem CID 112676797) has the molecular formula C9H11ClO5S2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-methoxyethyl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate
PubChem CID112676797
Molecular FormulaC9H11ClO5S2
Molecular Weight298.77 g/mol
Exact Mass297.97
IUPAC Name2-methoxyethyl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate
SMILESCOCCOC(=O)c1cc(S(=O)(=O)Cl)c(C)s1
InChIInChI=1S/C9H11ClO5S2/c1-6-8(17(10,12)13)5-7(16-6)9(11)15-4-3-14-2/h5H,3-4H2,1-2H3
InChIKeyAPHMKAHWAGKSKY-UHFFFAOYSA-N
XLogP1.79
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.79
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-methoxyethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate
CID 112689917
4-methylpentyl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate
CID 112676798
5-[ethyl(2-methoxyethyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride
CID 112676744
2-[(2-methylpropan-2-yl)oxy]ethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate
CID 115615927
2-methyl-5-(3-methylpentan-2-ylcarbamoyl)thiophene-3-sulfonyl chloride
CID 112676745
5-(hexan-3-ylcarbamoyl)-2-methylthiophene-3-sulfonyl chloride
CID 112676753
2-methyl-5-(2-propan-2-yloxyethylcarbamoyl)thiophene-3-sulfonyl chloride
CID 104766618
2-methyl-5-(2,4,4-trimethylpentan-2-ylcarbamoyl)thiophene-3-sulfonyl chloride
CID 115994049
2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)thiophene-3-sulfonyl chloride
CID 112676712
oxetan-3-yl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate
CID 102608574
2-methoxyethyl 2-chlorosulfonylbenzoate
CID 11572692
(2-ethylcyclohexyl) 4-chlorosulfonyl-5-methylthiophene-2-carboxylate
CID 115994120

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate?
The IUPAC name of 2-methoxyethyl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate (CID 112676797) is 2-methoxyethyl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate.
What is the SMILES notation for 2-methoxyethyl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate?
The canonical SMILES for 2-methoxyethyl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate is COCCOC(=O)c1cc(S(=O)(=O)Cl)c(C)s1.
What is the InChIKey of 2-methoxyethyl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate?
The InChIKey is APHMKAHWAGKSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO5S2/c1-6-8(17(10,12)13)5-7(16-6)9(11)15-4-3-14-2/h5H,3-4H2,1-2H3.
What are the key properties of 2-methoxyethyl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate?
2-methoxyethyl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate has a molecular weight of 298.77 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate is sourced from PubChem (CID 112676797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).