[1-(2-fluorophenyl)pyrrol-3-yl]-(4-methylsulfonylphenyl)methanone

C18H14FNO3S — CID 46939840

IUPAC[1-(2-fluorophenyl)pyrrol-3-yl]-(4-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)c2ccn(-c3ccccc3F)c2)cc1
InChIInChI=1S/C18H14FNO3S/c1-24(22,23)15-8-6-13(7-9-15)18(21)14-10-11-20(12-14)17-5-3-2-4-16(17)19/h2-12H,1H3
InChIKeyDAUXFNDEYXUIPZ-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.25
Rot. Bonds4

About [1-(2-fluorophenyl)pyrrol-3-yl]-(4-methylsulfonylphenyl)methanone

[1-(2-fluorophenyl)pyrrol-3-yl]-(4-methylsulfonylphenyl)methanone (PubChem CID 46939840) has the molecular formula C18H14FNO3S and a molecular weight of 343.38 g/mol. Its IUPAC name is [1-(2-fluorophenyl)pyrrol-3-yl]-(4-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[1-(2-fluorophenyl)pyrrol-3-yl]-(4-methylsulfonylphenyl)methanone
PubChem CID46939840
Molecular FormulaC18H14FNO3S
Molecular Weight343.38 g/mol
Exact Mass343.07
IUPAC Name[1-(2-fluorophenyl)pyrrol-3-yl]-(4-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)c2ccn(-c3ccccc3F)c2)cc1
InChIInChI=1S/C18H14FNO3S/c1-24(22,23)15-8-6-13(7-9-15)18(21)14-10-11-20(12-14)17-5-3-2-4-16(17)19/h2-12H,1H3
InChIKeyDAUXFNDEYXUIPZ-UHFFFAOYSA-N
XLogP3.25
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)pyrrol-3-yl]-(4-methylsulfonylphenyl)methanone?
The IUPAC name of [1-(2-fluorophenyl)pyrrol-3-yl]-(4-methylsulfonylphenyl)methanone (CID 46939840) is [1-(2-fluorophenyl)pyrrol-3-yl]-(4-methylsulfonylphenyl)methanone.
What is the SMILES notation for [1-(2-fluorophenyl)pyrrol-3-yl]-(4-methylsulfonylphenyl)methanone?
The canonical SMILES for [1-(2-fluorophenyl)pyrrol-3-yl]-(4-methylsulfonylphenyl)methanone is CS(=O)(=O)c1ccc(C(=O)c2ccn(-c3ccccc3F)c2)cc1.
What is the InChIKey of [1-(2-fluorophenyl)pyrrol-3-yl]-(4-methylsulfonylphenyl)methanone?
The InChIKey is DAUXFNDEYXUIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3S/c1-24(22,23)15-8-6-13(7-9-15)18(21)14-10-11-20(12-14)17-5-3-2-4-16(17)19/h2-12H,1H3.
What are the key properties of [1-(2-fluorophenyl)pyrrol-3-yl]-(4-methylsulfonylphenyl)methanone?
[1-(2-fluorophenyl)pyrrol-3-yl]-(4-methylsulfonylphenyl)methanone has a molecular weight of 343.38 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)pyrrol-3-yl]-(4-methylsulfonylphenyl)methanone is sourced from PubChem (CID 46939840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).