5-fluoro-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine

C15H13FN2O2S — CID 137352450

IUPAC5-fluoro-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESCc1ccc(S(=O)(=O)n2ccc3cc(F)c(C)nc32)cc1
InChIInChI=1S/C15H13FN2O2S/c1-10-3-5-13(6-4-10)21(19,20)18-8-7-12-9-14(16)11(2)17-15(12)18/h3-9H,1-2H3
InChIKeyAJDJLPPYMJOHIY-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.03
Rot. Bonds2

About 5-fluoro-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine

5-fluoro-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine (PubChem CID 137352450) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-fluoro-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-fluoro-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
PubChem CID137352450
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC Name5-fluoro-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESCc1ccc(S(=O)(=O)n2ccc3cc(F)c(C)nc32)cc1
InChIInChI=1S/C15H13FN2O2S/c1-10-3-5-13(6-4-10)21(19,20)18-8-7-12-9-14(16)11(2)17-15(12)18/h3-9H,1-2H3
InChIKeyAJDJLPPYMJOHIY-UHFFFAOYSA-N
XLogP3.03
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 151827977
1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 69081244
2-chloro-4-(4-fluoro-3-methylphenyl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine
CID 118053070
1-[6-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridin-5-yl]ethanone
CID 86689856
5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carbonitrile
CID 58382109
6-(chloromethyl)-1-(4-methylphenyl)sulfonylindole
CID 14882501
5-iodo-1-(4-methylphenyl)sulfonylindole
CID 10872988
5-bromo-1-(4-methylphenyl)sulfonylindole
CID 11954618
2,3-dimethyl-1-(4-methylphenyl)sulfonylpyrrole
CID 102326520
3-bromo-5,7-difluoro-1-(4-methylphenyl)sulfonylindole;5,7-difluoro-1-(4-methylphenyl)sulfonylindole
CID 158503491
2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110537991
2-chloro-4-methyl-5-(4-methylphenyl)sulfonylpyrrolo[3,2-d]pyrimidine
CID 142498326

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The IUPAC name of 5-fluoro-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine (CID 137352450) is 5-fluoro-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-fluoro-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-fluoro-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine is Cc1ccc(S(=O)(=O)n2ccc3cc(F)c(C)nc32)cc1.
What is the InChIKey of 5-fluoro-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The InChIKey is AJDJLPPYMJOHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c1-10-3-5-13(6-4-10)21(19,20)18-8-7-12-9-14(16)11(2)17-15(12)18/h3-9H,1-2H3.
What are the key properties of 5-fluoro-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
5-fluoro-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine has a molecular weight of 304.35 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 137352450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).