2,5-dichloro-3-[(4-chlorophenyl)sulfonylmethyl]thiophene

C11H7Cl3O2S2 — CID 2806079

IUPAC2,5-dichloro-3-[(4-chlorophenyl)sulfonylmethyl]thiophene
SMILESO=S(=O)(Cc1cc(Cl)sc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C11H7Cl3O2S2/c12-8-1-3-9(4-2-8)18(15,16)6-7-5-10(13)17-11(7)14/h1-5H,6H2
InChIKeyQDGVZKPKFLHUHR-UHFFFAOYSA-N
MW341.67 g/mol
LogP4.68
Rot. Bonds3

About 2,5-dichloro-3-[(4-chlorophenyl)sulfonylmethyl]thiophene

2,5-dichloro-3-[(4-chlorophenyl)sulfonylmethyl]thiophene (PubChem CID 2806079) has the molecular formula C11H7Cl3O2S2 and a molecular weight of 341.67 g/mol. Its IUPAC name is 2,5-dichloro-3-[(4-chlorophenyl)sulfonylmethyl]thiophene.

Molecular Properties

Compound Name2,5-dichloro-3-[(4-chlorophenyl)sulfonylmethyl]thiophene
PubChem CID2806079
Molecular FormulaC11H7Cl3O2S2
Molecular Weight341.67 g/mol
Exact Mass339.90
IUPAC Name2,5-dichloro-3-[(4-chlorophenyl)sulfonylmethyl]thiophene
SMILESO=S(=O)(Cc1cc(Cl)sc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C11H7Cl3O2S2/c12-8-1-3-9(4-2-8)18(15,16)6-7-5-10(13)17-11(7)14/h1-5H,6H2
InChIKeyQDGVZKPKFLHUHR-UHFFFAOYSA-N
XLogP4.68
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.67
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-[(4-chlorophenyl)sulfonylmethyl]thiophene?
The IUPAC name of 2,5-dichloro-3-[(4-chlorophenyl)sulfonylmethyl]thiophene (CID 2806079) is 2,5-dichloro-3-[(4-chlorophenyl)sulfonylmethyl]thiophene.
What is the SMILES notation for 2,5-dichloro-3-[(4-chlorophenyl)sulfonylmethyl]thiophene?
The canonical SMILES for 2,5-dichloro-3-[(4-chlorophenyl)sulfonylmethyl]thiophene is O=S(=O)(Cc1cc(Cl)sc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 2,5-dichloro-3-[(4-chlorophenyl)sulfonylmethyl]thiophene?
The InChIKey is QDGVZKPKFLHUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3O2S2/c12-8-1-3-9(4-2-8)18(15,16)6-7-5-10(13)17-11(7)14/h1-5H,6H2.
What are the key properties of 2,5-dichloro-3-[(4-chlorophenyl)sulfonylmethyl]thiophene?
2,5-dichloro-3-[(4-chlorophenyl)sulfonylmethyl]thiophene has a molecular weight of 341.67 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3-[(4-chlorophenyl)sulfonylmethyl]thiophene is sourced from PubChem (CID 2806079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).