3-[3-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylphenyl]-5-methylsulfonylpyridine

C23H19FN2O4S2 — CID 175421654

IUPAC3-[3-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylphenyl]-5-methylsulfonylpyridine
SMILESCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccc(-c3cncc(S(C)(=O)=O)c3)c2)c1
InChIInChI=1S/C23H19FN2O4S2/c1-16-10-23(21-8-3-4-9-22(21)24)26(15-16)32(29,30)19-7-5-6-17(11-19)18-12-20(14-25-13-18)31(2,27)28/h3-15H,1-2H3
InChIKeyDQXZGWFTIMIJDW-UHFFFAOYSA-N
MW470.55 g/mol
LogP4.31
Rot. Bonds5

About 3-[3-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylphenyl]-5-methylsulfonylpyridine

3-[3-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylphenyl]-5-methylsulfonylpyridine (PubChem CID 175421654) has the molecular formula C23H19FN2O4S2 and a molecular weight of 470.55 g/mol. Its IUPAC name is 3-[3-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylphenyl]-5-methylsulfonylpyridine.

Molecular Properties

Compound Name3-[3-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylphenyl]-5-methylsulfonylpyridine
PubChem CID175421654
Molecular FormulaC23H19FN2O4S2
Molecular Weight470.55 g/mol
Exact Mass470.08
IUPAC Name3-[3-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylphenyl]-5-methylsulfonylpyridine
SMILESCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccc(-c3cncc(S(C)(=O)=O)c3)c2)c1
InChIInChI=1S/C23H19FN2O4S2/c1-16-10-23(21-8-3-4-9-22(21)24)26(15-16)32(29,30)19-7-5-6-17(11-19)18-12-20(14-25-13-18)31(2,27)28/h3-15H,1-2H3
InChIKeyDQXZGWFTIMIJDW-UHFFFAOYSA-N
XLogP4.31
TPSA86.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylphenyl]-5-methylsulfonylpyridine?
The IUPAC name of 3-[3-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylphenyl]-5-methylsulfonylpyridine (CID 175421654) is 3-[3-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylphenyl]-5-methylsulfonylpyridine.
What is the SMILES notation for 3-[3-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylphenyl]-5-methylsulfonylpyridine?
The canonical SMILES for 3-[3-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylphenyl]-5-methylsulfonylpyridine is Cc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccc(-c3cncc(S(C)(=O)=O)c3)c2)c1.
What is the InChIKey of 3-[3-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylphenyl]-5-methylsulfonylpyridine?
The InChIKey is DQXZGWFTIMIJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O4S2/c1-16-10-23(21-8-3-4-9-22(21)24)26(15-16)32(29,30)19-7-5-6-17(11-19)18-12-20(14-25-13-18)31(2,27)28/h3-15H,1-2H3.
What are the key properties of 3-[3-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylphenyl]-5-methylsulfonylpyridine?
3-[3-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylphenyl]-5-methylsulfonylpyridine has a molecular weight of 470.55 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylphenyl]-5-methylsulfonylpyridine is sourced from PubChem (CID 175421654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).