4-fluoro-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine

C20H15FN2O2S — CID 146169459

IUPAC4-fluoro-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine
SMILESCc1ccc(S(=O)(=O)n2cc(-c3ccccc3)c3c(F)ccnc32)cc1
InChIInChI=1S/C20H15FN2O2S/c1-14-7-9-16(10-8-14)26(24,25)23-13-17(15-5-3-2-4-6-15)19-18(21)11-12-22-20(19)23/h2-13H,1H3
InChIKeyMLALVJAFHDIMRV-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.39
Rot. Bonds3

About 4-fluoro-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine

4-fluoro-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine (PubChem CID 146169459) has the molecular formula C20H15FN2O2S and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-fluoro-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-fluoro-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine
PubChem CID146169459
Molecular FormulaC20H15FN2O2S
Molecular Weight366.42 g/mol
Exact Mass366.08
IUPAC Name4-fluoro-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine
SMILESCc1ccc(S(=O)(=O)n2cc(-c3ccccc3)c3c(F)ccnc32)cc1
InChIInChI=1S/C20H15FN2O2S/c1-14-7-9-16(10-8-14)26(24,25)23-13-17(15-5-3-2-4-6-15)19-18(21)11-12-22-20(19)23/h2-13H,1H3
InChIKeyMLALVJAFHDIMRV-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-fluoro-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine?
The IUPAC name of 4-fluoro-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine (CID 146169459) is 4-fluoro-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-fluoro-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-fluoro-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine is Cc1ccc(S(=O)(=O)n2cc(-c3ccccc3)c3c(F)ccnc32)cc1.
What is the InChIKey of 4-fluoro-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine?
The InChIKey is MLALVJAFHDIMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2S/c1-14-7-9-16(10-8-14)26(24,25)23-13-17(15-5-3-2-4-6-15)19-18(21)11-12-22-20(19)23/h2-13H,1H3.
What are the key properties of 4-fluoro-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine?
4-fluoro-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine 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-fluoro-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 146169459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).