5-fluoro-2-(4-methylphenyl)sulfonyl-2H-pyrrole

C11H10FNO2S — CID 135122366

IUPAC5-fluoro-2-(4-methylphenyl)sulfonyl-2H-pyrrole
SMILESCc1ccc(S(=O)(=O)C2C=CC(F)=N2)cc1
InChIInChI=1S/C11H10FNO2S/c1-8-2-4-9(5-3-8)16(14,15)11-7-6-10(12)13-11/h2-7,11H,1H3
InChIKeyLDEGAIRPQGBGNU-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.03
Rot. Bonds2

About 5-fluoro-2-(4-methylphenyl)sulfonyl-2H-pyrrole

5-fluoro-2-(4-methylphenyl)sulfonyl-2H-pyrrole (PubChem CID 135122366) has the molecular formula C11H10FNO2S and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-fluoro-2-(4-methylphenyl)sulfonyl-2H-pyrrole.

Molecular Properties

Compound Name5-fluoro-2-(4-methylphenyl)sulfonyl-2H-pyrrole
PubChem CID135122366
Molecular FormulaC11H10FNO2S
Molecular Weight239.27 g/mol
Exact Mass239.04
IUPAC Name5-fluoro-2-(4-methylphenyl)sulfonyl-2H-pyrrole
SMILESCc1ccc(S(=O)(=O)C2C=CC(F)=N2)cc1
InChIInChI=1S/C11H10FNO2S/c1-8-2-4-9(5-3-8)16(14,15)11-7-6-10(12)13-11/h2-7,11H,1H3
InChIKeyLDEGAIRPQGBGNU-UHFFFAOYSA-N
XLogP2.03
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-methylphenyl)sulfonyl-2H-pyrrole?
The IUPAC name of 5-fluoro-2-(4-methylphenyl)sulfonyl-2H-pyrrole (CID 135122366) is 5-fluoro-2-(4-methylphenyl)sulfonyl-2H-pyrrole.
What is the SMILES notation for 5-fluoro-2-(4-methylphenyl)sulfonyl-2H-pyrrole?
The canonical SMILES for 5-fluoro-2-(4-methylphenyl)sulfonyl-2H-pyrrole is Cc1ccc(S(=O)(=O)C2C=CC(F)=N2)cc1.
What is the InChIKey of 5-fluoro-2-(4-methylphenyl)sulfonyl-2H-pyrrole?
The InChIKey is LDEGAIRPQGBGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2S/c1-8-2-4-9(5-3-8)16(14,15)11-7-6-10(12)13-11/h2-7,11H,1H3.
What are the key properties of 5-fluoro-2-(4-methylphenyl)sulfonyl-2H-pyrrole?
5-fluoro-2-(4-methylphenyl)sulfonyl-2H-pyrrole has a molecular weight of 239.27 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-methylphenyl)sulfonyl-2H-pyrrole is sourced from PubChem (CID 135122366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).