3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene

C17H13FO2S2 — CID 10426884

IUPAC3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene
SMILESCS(=O)(=O)c1ccc(-c2cscc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H13FO2S2/c1-22(19,20)15-8-4-13(5-9-15)17-11-21-10-16(17)12-2-6-14(18)7-3-12/h2-11H,1H3
InChIKeyAPTPOHBDWBGOML-UHFFFAOYSA-N
MW332.42 g/mol
LogP4.62
Rot. Bonds3

About 3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene

3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene (PubChem CID 10426884) has the molecular formula C17H13FO2S2 and a molecular weight of 332.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene
PubChem CID10426884
Molecular FormulaC17H13FO2S2
Molecular Weight332.42 g/mol
Exact Mass332.03
IUPAC Name3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene
SMILESCS(=O)(=O)c1ccc(-c2cscc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H13FO2S2/c1-22(19,20)15-8-4-13(5-9-15)17-11-21-10-16(17)12-2-6-14(18)7-3-12/h2-11H,1H3
InChIKeyAPTPOHBDWBGOML-UHFFFAOYSA-N
XLogP4.62
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene?
The IUPAC name of 3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene (CID 10426884) is 3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene.
What is the SMILES notation for 3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene?
The canonical SMILES for 3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene is CS(=O)(=O)c1ccc(-c2cscc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene?
The InChIKey is APTPOHBDWBGOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FO2S2/c1-22(19,20)15-8-4-13(5-9-15)17-11-21-10-16(17)12-2-6-14(18)7-3-12/h2-11H,1H3.
What are the key properties of 3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene?
3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene has a molecular weight of 332.42 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene is sourced from PubChem (CID 10426884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).