4-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylquinoline

C20H15FN2O2S — CID 175158528

IUPAC4-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylquinoline
SMILESCc1cc(-c2ccccc2F)n(S(=O)(=O)c2ccnc3ccccc23)c1
InChIInChI=1S/C20H15FN2O2S/c1-14-12-19(15-6-2-4-8-17(15)21)23(13-14)26(24,25)20-10-11-22-18-9-5-3-7-16(18)20/h2-13H,1H3
InChIKeyZQDCWSDJPGSOCN-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.39
Rot. Bonds3

About 4-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylquinoline

4-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylquinoline (PubChem CID 175158528) has the molecular formula C20H15FN2O2S and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylquinoline.

Molecular Properties

Compound Name4-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylquinoline
PubChem CID175158528
Molecular FormulaC20H15FN2O2S
Molecular Weight366.42 g/mol
Exact Mass366.08
IUPAC Name4-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylquinoline
SMILESCc1cc(-c2ccccc2F)n(S(=O)(=O)c2ccnc3ccccc23)c1
InChIInChI=1S/C20H15FN2O2S/c1-14-12-19(15-6-2-4-8-17(15)21)23(13-14)26(24,25)20-10-11-22-18-9-5-3-7-16(18)20/h2-13H,1H3
InChIKeyZQDCWSDJPGSOCN-UHFFFAOYSA-N
XLogP4.39
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylquinoline?
The IUPAC name of 4-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylquinoline (CID 175158528) is 4-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylquinoline.
What is the SMILES notation for 4-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylquinoline?
The canonical SMILES for 4-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylquinoline is Cc1cc(-c2ccccc2F)n(S(=O)(=O)c2ccnc3ccccc23)c1.
What is the InChIKey of 4-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylquinoline?
The InChIKey is ZQDCWSDJPGSOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2S/c1-14-12-19(15-6-2-4-8-17(15)21)23(13-14)26(24,25)20-10-11-22-18-9-5-3-7-16(18)20/h2-13H,1H3.
What are the key properties of 4-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylquinoline?
4-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylquinoline has a molecular weight of 366.42 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylquinoline is sourced from PubChem (CID 175158528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).