1-[3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophen-2-yl]ethanone

C19H15FO3S2 — CID 18338151

IUPAC1-[3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1scc(-c2ccc(S(C)(=O)=O)cc2)c1-c1ccc(F)cc1
InChIInChI=1S/C19H15FO3S2/c1-12(21)19-18(14-3-7-15(20)8-4-14)17(11-24-19)13-5-9-16(10-6-13)25(2,22)23/h3-11H,1-2H3
InChIKeyFKRODJBTSSAFDQ-UHFFFAOYSA-N
MW374.46 g/mol
LogP4.83
Rot. Bonds4

About 1-[3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophen-2-yl]ethanone

1-[3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophen-2-yl]ethanone (PubChem CID 18338151) has the molecular formula C19H15FO3S2 and a molecular weight of 374.46 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophen-2-yl]ethanone
PubChem CID18338151
Molecular FormulaC19H15FO3S2
Molecular Weight374.46 g/mol
Exact Mass374.04
IUPAC Name1-[3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1scc(-c2ccc(S(C)(=O)=O)cc2)c1-c1ccc(F)cc1
InChIInChI=1S/C19H15FO3S2/c1-12(21)19-18(14-3-7-15(20)8-4-14)17(11-24-19)13-5-9-16(10-6-13)25(2,22)23/h3-11H,1-2H3
InChIKeyFKRODJBTSSAFDQ-UHFFFAOYSA-N
XLogP4.83
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophen-2-yl]ethanone (CID 18338151) is 1-[3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophen-2-yl]ethanone is CC(=O)c1scc(-c2ccc(S(C)(=O)=O)cc2)c1-c1ccc(F)cc1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophen-2-yl]ethanone?
The InChIKey is FKRODJBTSSAFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FO3S2/c1-12(21)19-18(14-3-7-15(20)8-4-14)17(11-24-19)13-5-9-16(10-6-13)25(2,22)23/h3-11H,1-2H3.
What are the key properties of 1-[3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophen-2-yl]ethanone?
1-[3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophen-2-yl]ethanone has a molecular weight of 374.46 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 18338151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).