5-fluoro-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-pyrrole

C17H13F2NO2S — CID 10065402

IUPAC5-fluoro-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-pyrrole
SMILESCS(=O)(=O)c1ccc(-c2[nH]c(F)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H13F2NO2S/c1-23(21,22)14-8-4-12(5-9-14)17-15(10-16(19)20-17)11-2-6-13(18)7-3-11/h2-10,20H,1H3
InChIKeyBZUUKJYBCDWFTN-UHFFFAOYSA-N
MW333.36 g/mol
LogP4.03
Rot. Bonds3

About 5-fluoro-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-pyrrole

5-fluoro-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-pyrrole (PubChem CID 10065402) has the molecular formula C17H13F2NO2S and a molecular weight of 333.36 g/mol. Its IUPAC name is 5-fluoro-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-pyrrole.

Molecular Properties

Compound Name5-fluoro-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-pyrrole
PubChem CID10065402
Molecular FormulaC17H13F2NO2S
Molecular Weight333.36 g/mol
Exact Mass333.06
IUPAC Name5-fluoro-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-pyrrole
SMILESCS(=O)(=O)c1ccc(-c2[nH]c(F)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H13F2NO2S/c1-23(21,22)14-8-4-12(5-9-14)17-15(10-16(19)20-17)11-2-6-13(18)7-3-11/h2-10,20H,1H3
InChIKeyBZUUKJYBCDWFTN-UHFFFAOYSA-N
XLogP4.03
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-(methylsulfonyl)phenyl)-3-p-tolyl-1H-indole
CID 10021497
3-(3,4-dimethylphenyl)-2-(4-(methylsulfonyl)phenyl)-1H-indole
CID 10362126
2-(4-(methylsulfonyl)phenyl)-3-phenyl-1H-indole
CID 11725257
3-(4-fluorophenyl)-2-(4-(methylsulfonyl)phenyl)-1H-indole
CID 15337398
5-methyl-2-(4-(methylsulfonyl)phenyl)-3-phenyl-1H-indole
CID 22285778
1-(4-Fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrole
CID 2765724
Pyridine, 4-(2-(4-fluorophenyl)-5-(4-(methylsulfinyl)phenyl)-1H-pyrrol-3-yl)-
CID 9885993
3-(4-Fluorophenyl)-5-(4-methylsulfonylphenyl)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene
CID 9929831
4-[2-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-1H-pyrrol-3-yl]-pyridine
CID 9930407
3-(2,4-Difluoro-phenylsulfanyl)-6-methanesulfonyl-1H-indole-2-carbonitrile
CID 10109361
2-(4-methylsulfonylphenyl)-3-(4-fluorophenyl)-1H-pyrrole
CID 10313600
3-(2,4-Difluoro-benzyl)-6-methanesulfonyl-2-methyl-1H-indole
CID 10449604

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-pyrrole?
The IUPAC name of 5-fluoro-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-pyrrole (CID 10065402) is 5-fluoro-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-pyrrole.
What is the SMILES notation for 5-fluoro-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-pyrrole?
The canonical SMILES for 5-fluoro-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-pyrrole is CS(=O)(=O)c1ccc(-c2[nH]c(F)cc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 5-fluoro-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-pyrrole?
The InChIKey is BZUUKJYBCDWFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO2S/c1-23(21,22)14-8-4-12(5-9-14)17-15(10-16(19)20-17)11-2-6-13(18)7-3-11/h2-10,20H,1H3.
What are the key properties of 5-fluoro-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-pyrrole?
5-fluoro-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-pyrrole has a molecular weight of 333.36 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-pyrrole is sourced from PubChem (CID 10065402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).