3-[(3-chloro-2-fluorophenyl)methylsulfonyl]thiophene

C11H8ClFO2S2 — CID 167979831

IUPAC3-[(3-chloro-2-fluorophenyl)methylsulfonyl]thiophene
SMILESO=S(=O)(Cc1cccc(Cl)c1F)c1ccsc1
InChIInChI=1S/C11H8ClFO2S2/c12-10-3-1-2-8(11(10)13)7-17(14,15)9-4-5-16-6-9/h1-6H,7H2
InChIKeyNYHBLODFXBBUQI-UHFFFAOYSA-N
MW290.77 g/mol
LogP3.51
Rot. Bonds3

About 3-[(3-chloro-2-fluorophenyl)methylsulfonyl]thiophene

3-[(3-chloro-2-fluorophenyl)methylsulfonyl]thiophene (PubChem CID 167979831) has the molecular formula C11H8ClFO2S2 and a molecular weight of 290.77 g/mol. Its IUPAC name is 3-[(3-chloro-2-fluorophenyl)methylsulfonyl]thiophene.

Molecular Properties

Compound Name3-[(3-chloro-2-fluorophenyl)methylsulfonyl]thiophene
PubChem CID167979831
Molecular FormulaC11H8ClFO2S2
Molecular Weight290.77 g/mol
Exact Mass289.96
IUPAC Name3-[(3-chloro-2-fluorophenyl)methylsulfonyl]thiophene
SMILESO=S(=O)(Cc1cccc(Cl)c1F)c1ccsc1
InChIInChI=1S/C11H8ClFO2S2/c12-10-3-1-2-8(11(10)13)7-17(14,15)9-4-5-16-6-9/h1-6H,7H2
InChIKeyNYHBLODFXBBUQI-UHFFFAOYSA-N
XLogP3.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-fluorophenyl)methylsulfonyl]thiophene?
The IUPAC name of 3-[(3-chloro-2-fluorophenyl)methylsulfonyl]thiophene (CID 167979831) is 3-[(3-chloro-2-fluorophenyl)methylsulfonyl]thiophene.
What is the SMILES notation for 3-[(3-chloro-2-fluorophenyl)methylsulfonyl]thiophene?
The canonical SMILES for 3-[(3-chloro-2-fluorophenyl)methylsulfonyl]thiophene is O=S(=O)(Cc1cccc(Cl)c1F)c1ccsc1.
What is the InChIKey of 3-[(3-chloro-2-fluorophenyl)methylsulfonyl]thiophene?
The InChIKey is NYHBLODFXBBUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFO2S2/c12-10-3-1-2-8(11(10)13)7-17(14,15)9-4-5-16-6-9/h1-6H,7H2.
What are the key properties of 3-[(3-chloro-2-fluorophenyl)methylsulfonyl]thiophene?
3-[(3-chloro-2-fluorophenyl)methylsulfonyl]thiophene has a molecular weight of 290.77 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-fluorophenyl)methylsulfonyl]thiophene is sourced from PubChem (CID 167979831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).