5-chloro-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran

C15H10ClFO2S — CID 90845485

IUPAC5-chloro-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran
SMILESCS(=O)c1c(-c2ccc(F)cc2)oc2ccc(Cl)cc12
InChIInChI=1S/C15H10ClFO2S/c1-20(18)15-12-8-10(16)4-7-13(12)19-14(15)9-2-5-11(17)6-3-9/h2-8H,1H3
InChIKeyVHCCMUDBDZKTAW-UHFFFAOYSA-N
MW308.76 g/mol
LogP4.63
Rot. Bonds2

About 5-chloro-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran

5-chloro-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran (PubChem CID 90845485) has the molecular formula C15H10ClFO2S and a molecular weight of 308.76 g/mol. Its IUPAC name is 5-chloro-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran.

Molecular Properties

Compound Name5-chloro-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran
PubChem CID90845485
Molecular FormulaC15H10ClFO2S
Molecular Weight308.76 g/mol
Exact Mass308.01
IUPAC Name5-chloro-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran
SMILESCS(=O)c1c(-c2ccc(F)cc2)oc2ccc(Cl)cc12
InChIInChI=1S/C15H10ClFO2S/c1-20(18)15-12-8-10(16)4-7-13(12)19-14(15)9-2-5-11(17)6-3-9/h2-8H,1H3
InChIKeyVHCCMUDBDZKTAW-UHFFFAOYSA-N
XLogP4.63
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran?
The IUPAC name of 5-chloro-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran (CID 90845485) is 5-chloro-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran.
What is the SMILES notation for 5-chloro-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran?
The canonical SMILES for 5-chloro-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran is CS(=O)c1c(-c2ccc(F)cc2)oc2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran?
The InChIKey is VHCCMUDBDZKTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFO2S/c1-20(18)15-12-8-10(16)4-7-13(12)19-14(15)9-2-5-11(17)6-3-9/h2-8H,1H3.
What are the key properties of 5-chloro-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran?
5-chloro-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran has a molecular weight of 308.76 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran is sourced from PubChem (CID 90845485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).