1-(2,5-dichlorothiophen-3-yl)-2-(3-methylsulfonylphenoxy)ethanone

C13H10Cl2O4S2 — CID 43612904

IUPAC1-(2,5-dichlorothiophen-3-yl)-2-(3-methylsulfonylphenoxy)ethanone
SMILESCS(=O)(=O)c1cccc(OCC(=O)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C13H10Cl2O4S2/c1-21(17,18)9-4-2-3-8(5-9)19-7-11(16)10-6-12(14)20-13(10)15/h2-6H,7H2,1H3
InChIKeyFNAOKEZYPFUPFW-UHFFFAOYSA-N
MW365.26 g/mol
LogP3.72
Rot. Bonds5

About 1-(2,5-dichlorothiophen-3-yl)-2-(3-methylsulfonylphenoxy)ethanone

1-(2,5-dichlorothiophen-3-yl)-2-(3-methylsulfonylphenoxy)ethanone (PubChem CID 43612904) has the molecular formula C13H10Cl2O4S2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2-(3-methylsulfonylphenoxy)ethanone.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2-(3-methylsulfonylphenoxy)ethanone
PubChem CID43612904
Molecular FormulaC13H10Cl2O4S2
Molecular Weight365.26 g/mol
Exact Mass363.94
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2-(3-methylsulfonylphenoxy)ethanone
SMILESCS(=O)(=O)c1cccc(OCC(=O)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C13H10Cl2O4S2/c1-21(17,18)9-4-2-3-8(5-9)19-7-11(16)10-6-12(14)20-13(10)15/h2-6H,7H2,1H3
InChIKeyFNAOKEZYPFUPFW-UHFFFAOYSA-N
XLogP3.72
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-bromophenyl)-2-(3-methylsulfonylphenoxy)ethanone
CID 43612917
1-(4-iodophenyl)-2-(3-methylsulfonylphenoxy)ethanone
CID 43612905
1-(2,5-dichlorothiophen-3-yl)-2-(4-methylsulfanylphenoxy)ethanone
CID 60652315
1-(2,5-dichlorothiophen-3-yl)-2-(2-ethylphenoxy)ethanone
CID 43220079
1-cyclopropyl-2-(3-methylsulfonylphenoxy)ethanone
CID 63904019
N-[2-[5-[2-(3-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]acetamide
CID 55733106
2-(4-butylphenoxy)-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 115492871
1-(2,5-dichlorothiophen-3-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 43220131
butyl 2-(3-methylsulfonylphenoxy)acetate
CID 54942460
2-(3-methylsulfonylphenoxy)-1-thiomorpholin-4-ylethanone
CID 56797127
1-(fluoromethoxy)-3-methylsulfonylbenzene
CID 68604841
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylsulfonylphenoxy)acetamide
CID 55733108

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(3-methylsulfonylphenoxy)ethanone?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(3-methylsulfonylphenoxy)ethanone (CID 43612904) is 1-(2,5-dichlorothiophen-3-yl)-2-(3-methylsulfonylphenoxy)ethanone.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2-(3-methylsulfonylphenoxy)ethanone?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2-(3-methylsulfonylphenoxy)ethanone is CS(=O)(=O)c1cccc(OCC(=O)c2cc(Cl)sc2Cl)c1.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2-(3-methylsulfonylphenoxy)ethanone?
The InChIKey is FNAOKEZYPFUPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O4S2/c1-21(17,18)9-4-2-3-8(5-9)19-7-11(16)10-6-12(14)20-13(10)15/h2-6H,7H2,1H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2-(3-methylsulfonylphenoxy)ethanone?
1-(2,5-dichlorothiophen-3-yl)-2-(3-methylsulfonylphenoxy)ethanone has a molecular weight of 365.26 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-2-(3-methylsulfonylphenoxy)ethanone is sourced from PubChem (CID 43612904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).