2-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrrole

C17H14FNO2S — CID 10425834

IUPAC2-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrrole
SMILESCS(=O)(=O)c1ccc(-n2cccc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H14FNO2S/c1-22(20,21)16-10-8-15(9-11-16)19-12-2-3-17(19)13-4-6-14(18)7-5-13/h2-12H,1H3
InChIKeyMSGXHTVUTKOMNK-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.69
Rot. Bonds3

About 2-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrrole

2-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrrole (PubChem CID 10425834) has the molecular formula C17H14FNO2S and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrrole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrrole
PubChem CID10425834
Molecular FormulaC17H14FNO2S
Molecular Weight315.37 g/mol
Exact Mass315.07
IUPAC Name2-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrrole
SMILESCS(=O)(=O)c1ccc(-n2cccc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H14FNO2S/c1-22(20,21)16-10-8-15(9-11-16)19-12-2-3-17(19)13-4-6-14(18)7-5-13/h2-12H,1H3
InChIKeyMSGXHTVUTKOMNK-UHFFFAOYSA-N
XLogP3.69
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-(methylsulfonyl)phenyl)-1H-indole
CID 11958319
2-(4-(Methylsulfonyl)phenyl)pyridine
CID 46937403
(E)-2-(2,4-difluorostyryl)-5-(phenylsulfinyl)pyridine
CID 21099470
2-[(E)-2-(2,4-difluorophenyl)vinyl]-5-(phenylsulfonyl)pyridine
CID 21099472
Flipped tryptamine derivative, 10
CID 24768515
(E)-2-(4-fluorostyryl)-5-(phenylsulfonyl)pyridine
CID 44439376
(E)-2-(4-fluorostyryl)-5-(phenylsulfinyl)pyridine
CID 44439386
1-(4-(methylsulfonyl)phenyl)-1H-pyrrole
CID 22316981
3-((4-Fluorobenzyl)sulfonyl)-1-methyl-1H-indole
CID 2157568
1-(4-Fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrole
CID 2765724
1-{2-[(4-methylphenyl)sulfonyl]ethyl}-4-(1H-pyrrol-1-yl)piperidine
CID 2822484
3-(4-Methanesulfonyl-phenyl)-2-phenyl-pyridine
CID 9926659

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrrole?
The IUPAC name of 2-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrrole (CID 10425834) is 2-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrrole.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrrole?
The canonical SMILES for 2-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrrole is CS(=O)(=O)c1ccc(-n2cccc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrrole?
The InChIKey is MSGXHTVUTKOMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2S/c1-22(20,21)16-10-8-15(9-11-16)19-12-2-3-17(19)13-4-6-14(18)7-5-13/h2-12H,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrrole?
2-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrrole has a molecular weight of 315.37 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrrole is sourced from PubChem (CID 10425834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).