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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Related Compounds

1-(benzenesulfonyl)-2-(2-fluorophenyl)-4-methylpyrrole
CID 175170999
1-[5-(2-fluorophenyl)-1-[3-(5-fluoro-3-pyridinyl)phenyl]sulfonylpyrrol-3-yl]-N-methylmethanamine
CID 167310389
4-[3-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylphenyl]-3,5-dimethyl-1,2-oxazole
CID 175421676
4-[3-fluoro-5-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylphenyl]-1-methylpyrazole
CID 175421631
1-[5-(2-fluorophenyl)-1-[3-[5-(1,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]sulfonylpyrrol-3-yl]-N-methylmethanamine
CID 175421640
2-(2-fluorophenyl)-1-[3-(3-methoxypropoxy)phenyl]sulfonyl-4-methylpyrrole
CID 175482042
tert-butyl N-[[5-(2-fluorophenyl)-1-[3-(5-methoxy-3-pyridinyl)phenyl]sulfonylpyrrol-3-yl]methyl]-N-methylcarbamate
CID 166463381
2-[[5-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonyl-3-pyridinyl]sulfanyl]-1-(methylamino)ethanol
CID 175482037
5-(2-fluorophenyl)-N-methyl-1-[(5-thiophen-3-yl-3-pyridinyl)sulfonyl]pyrrole-3-carboxamide
CID 175592292
5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrole-3-carbonitrile
CID 141403376
1-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N,N-dimethylmethanamine;hydrochloride
CID 175666290
1-[5-(2-fluorophenyl)-1-[3-[3-(trifluoromethoxy)phenyl]phenyl]sulfonylpyrrol-3-yl]-N-methylmethanamine
CID 167310301

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).