1-(benzenesulfonyl)-5-fluoro-2-iodopyrrolo[2,3-b]pyridine

C13H8FIN2O2S — CID 121228726

IUPAC1-(benzenesulfonyl)-5-fluoro-2-iodopyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1ccccc1)n1c(I)cc2cc(F)cnc21
InChIInChI=1S/C13H8FIN2O2S/c14-10-6-9-7-12(15)17(13(9)16-8-10)20(18,19)11-4-2-1-3-5-11/h1-8H
InChIKeyVICMOKMGSAGVPW-UHFFFAOYSA-N
MW402.19 g/mol
LogP3.02
Rot. Bonds2

About 1-(benzenesulfonyl)-5-fluoro-2-iodopyrrolo[2,3-b]pyridine

1-(benzenesulfonyl)-5-fluoro-2-iodopyrrolo[2,3-b]pyridine (PubChem CID 121228726) has the molecular formula C13H8FIN2O2S and a molecular weight of 402.19 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-fluoro-2-iodopyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-fluoro-2-iodopyrrolo[2,3-b]pyridine
PubChem CID121228726
Molecular FormulaC13H8FIN2O2S
Molecular Weight402.19 g/mol
Exact Mass401.93
IUPAC Name1-(benzenesulfonyl)-5-fluoro-2-iodopyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1ccccc1)n1c(I)cc2cc(F)cnc21
InChIInChI=1S/C13H8FIN2O2S/c14-10-6-9-7-12(15)17(13(9)16-8-10)20(18,19)11-4-2-1-3-5-11/h1-8H
InChIKeyVICMOKMGSAGVPW-UHFFFAOYSA-N
XLogP3.02
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.19
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(benzenesulfonyl)-6-fluoro-2-iodopyrrolo[3,2-b]pyridine
CID 123134965
[6-[1-(benzenesulfonyl)-2-iodopyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]methanol
CID 129186694
5-(benzenesulfonyl)-6-iodopyrrolo[2,3-b]pyrazine
CID 141293822
1-(benzenesulfonyl)-5-iodopyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 71299156
1-(benzenesulfonyl)-5-bromo-2-iodo-4-methylpyrrolo[2,3-b]pyridine
CID 121228709
N-[1-(benzenesulfonyl)-2-iodopyrrolo[2,3-b]pyridin-5-yl]-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 86728024
1-(benzenesulfonyl)-2-ethyl-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine
CID 68951720
1-(benzenesulfonyl)-2-iodo-4-methylpyrrolo[2,3-b]pyridine
CID 74888568
1-(benzenesulfonyl)-2-chloro-5-methylpyrrolo[2,3-b]pyridine
CID 121228705
1-[1-(benzenesulfonyl)-5-fluoropyrrolo[2,3-b]pyridin-2-yl]-2-cyclobutyl-2-(4-methylsulfanylphenyl)ethanol
CID 123573904
6-iodo-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;hydrochloride
CID 175965023
1-(benzenesulfonyl)-4-(5-fluoro-2-methoxyphenyl)-2-iodopyrrolo[2,3-b]pyridine
CID 90412233

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-fluoro-2-iodopyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-5-fluoro-2-iodopyrrolo[2,3-b]pyridine (CID 121228726) is 1-(benzenesulfonyl)-5-fluoro-2-iodopyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-5-fluoro-2-iodopyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-5-fluoro-2-iodopyrrolo[2,3-b]pyridine is O=S(=O)(c1ccccc1)n1c(I)cc2cc(F)cnc21.
What is the InChIKey of 1-(benzenesulfonyl)-5-fluoro-2-iodopyrrolo[2,3-b]pyridine?
The InChIKey is VICMOKMGSAGVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FIN2O2S/c14-10-6-9-7-12(15)17(13(9)16-8-10)20(18,19)11-4-2-1-3-5-11/h1-8H.
What are the key properties of 1-(benzenesulfonyl)-5-fluoro-2-iodopyrrolo[2,3-b]pyridine?
1-(benzenesulfonyl)-5-fluoro-2-iodopyrrolo[2,3-b]pyridine has a molecular weight of 402.19 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-fluoro-2-iodopyrrolo[2,3-b]pyridine is sourced from PubChem (CID 121228726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).