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

C17H14FNO2S — CID 10313600

IUPAC3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-pyrrole
SMILESCS(=O)(=O)c1ccc(-c2[nH]ccc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H14FNO2S/c1-22(20,21)15-8-4-13(5-9-15)17-16(10-11-19-17)12-2-6-14(18)7-3-12/h2-11,19H,1H3
InChIKeyRKXPJRNZVATIAB-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.89
Rot. Bonds3

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

3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-pyrrole (PubChem CID 10313600) has the molecular formula C17H14FNO2S and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-pyrrole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-pyrrole
PubChem CID10313600
Molecular FormulaC17H14FNO2S
Molecular Weight315.37 g/mol
Exact Mass315.07
IUPAC Name3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-pyrrole
SMILESCS(=O)(=O)c1ccc(-c2[nH]ccc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H14FNO2S/c1-22(20,21)15-8-4-13(5-9-15)17-16(10-11-19-17)12-2-6-14(18)7-3-12/h2-11,19H,1H3
InChIKeyRKXPJRNZVATIAB-UHFFFAOYSA-N
XLogP3.89
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-pyrrole?
The IUPAC name of 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-pyrrole (CID 10313600) is 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-pyrrole.
What is the SMILES notation for 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-pyrrole?
The canonical SMILES for 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-pyrrole is CS(=O)(=O)c1ccc(-c2[nH]ccc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-pyrrole?
The InChIKey is RKXPJRNZVATIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2S/c1-22(20,21)15-8-4-13(5-9-15)17-16(10-11-19-17)12-2-6-14(18)7-3-12/h2-11,19H,1H3.
What are the key properties of 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-pyrrole?
3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-pyrrole has a molecular weight of 315.37 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-pyrrole is sourced from PubChem (CID 10313600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).