4-(2-methoxyethyl)-5-methylthiophene-2-sulfonyl chloride

C8H11ClO3S2 — CID 86630948

IUPAC4-(2-methoxyethyl)-5-methylthiophene-2-sulfonyl chloride
SMILESCOCCc1cc(S(=O)(=O)Cl)sc1C
InChIInChI=1S/C8H11ClO3S2/c1-6-7(3-4-12-2)5-8(13-6)14(9,10)11/h5H,3-4H2,1-2H3
InChIKeyDKOOXAGGDSGERZ-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.17
Rot. Bonds4

About 4-(2-methoxyethyl)-5-methylthiophene-2-sulfonyl chloride

4-(2-methoxyethyl)-5-methylthiophene-2-sulfonyl chloride (PubChem CID 86630948) has the molecular formula C8H11ClO3S2 and a molecular weight of 254.76 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-5-methylthiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name4-(2-methoxyethyl)-5-methylthiophene-2-sulfonyl chloride
PubChem CID86630948
Molecular FormulaC8H11ClO3S2
Molecular Weight254.76 g/mol
Exact Mass253.98
IUPAC Name4-(2-methoxyethyl)-5-methylthiophene-2-sulfonyl chloride
SMILESCOCCc1cc(S(=O)(=O)Cl)sc1C
InChIInChI=1S/C8H11ClO3S2/c1-6-7(3-4-12-2)5-8(13-6)14(9,10)11/h5H,3-4H2,1-2H3
InChIKeyDKOOXAGGDSGERZ-UHFFFAOYSA-N
XLogP2.17
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxyethyl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate
CID 112676797
2-(2-methoxyethyl)benzenesulfonyl chloride
CID 102853291
5-[2-(2-methoxyethylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 55014305
2-methoxyethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate
CID 112689917
5-[ethyl(2-methoxyethyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride
CID 112676744
2-methoxyethyl 3-chlorosulfonyl-5-methylbenzoate
CID 65375465
2-(4-chloro-5-methylthiophen-2-yl)ethanesulfonyl chloride
CID 84806132
2,5-dimethyl-3-(2-propoxyethyl)thiophene
CID 59303942
4-[4-(2-methoxyethyl)phenoxy]benzenesulfonyl chloride
CID 43110134
4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonyl chloride
CID 43134390
2-methoxyethyl 5-chlorosulfonyl-2-methylbenzoate
CID 65375266
4-(3-methoxypropoxy)-2,5-dimethylbenzenesulfonyl chloride
CID 60925970

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-5-methylthiophene-2-sulfonyl chloride?
The IUPAC name of 4-(2-methoxyethyl)-5-methylthiophene-2-sulfonyl chloride (CID 86630948) is 4-(2-methoxyethyl)-5-methylthiophene-2-sulfonyl chloride.
What is the SMILES notation for 4-(2-methoxyethyl)-5-methylthiophene-2-sulfonyl chloride?
The canonical SMILES for 4-(2-methoxyethyl)-5-methylthiophene-2-sulfonyl chloride is COCCc1cc(S(=O)(=O)Cl)sc1C.
What is the InChIKey of 4-(2-methoxyethyl)-5-methylthiophene-2-sulfonyl chloride?
The InChIKey is DKOOXAGGDSGERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClO3S2/c1-6-7(3-4-12-2)5-8(13-6)14(9,10)11/h5H,3-4H2,1-2H3.
What are the key properties of 4-(2-methoxyethyl)-5-methylthiophene-2-sulfonyl chloride?
4-(2-methoxyethyl)-5-methylthiophene-2-sulfonyl chloride has a molecular weight of 254.76 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-5-methylthiophene-2-sulfonyl chloride is sourced from PubChem (CID 86630948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).