5-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine

C14H11IN2O2S — CID 151827977

IUPAC5-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESCc1ccc(S(=O)(=O)n2ccc3cc(I)cnc32)cc1
InChIInChI=1S/C14H11IN2O2S/c1-10-2-4-13(5-3-10)20(18,19)17-7-6-11-8-12(15)9-16-14(11)17/h2-9H,1H3
InChIKeySEASKSHBBLMGKH-UHFFFAOYSA-N
MW398.23 g/mol
LogP3.19
Rot. Bonds2

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

5-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine (PubChem CID 151827977) has the molecular formula C14H11IN2O2S and a molecular weight of 398.23 g/mol. Its IUPAC name is 5-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
PubChem CID151827977
Molecular FormulaC14H11IN2O2S
Molecular Weight398.23 g/mol
Exact Mass397.96
IUPAC Name5-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESCc1ccc(S(=O)(=O)n2ccc3cc(I)cnc32)cc1
InChIInChI=1S/C14H11IN2O2S/c1-10-2-4-13(5-3-10)20(18,19)17-7-6-11-8-12(15)9-16-14(11)17/h2-9H,1H3
InChIKeySEASKSHBBLMGKH-UHFFFAOYSA-N
XLogP3.19
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.23
LogP ≤ 53.19
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

5-iodo-1-(4-methylphenyl)sulfonylindole
CID 10872988
1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 69081244
5-fluoro-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 137352450
4-iodo-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine
CID 58691740
5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carbonitrile
CID 58382109
5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine
CID 67078609
[4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]methanol
CID 68791607
1-(2-iodo-4-methylphenyl)sulfonyl-5-piperidin-1-ylpyrrolo[2,3-b]pyridine
CID 155089688
5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carbohydrazide
CID 174659530
methyl-[[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]methyl]diazene
CID 143912182
4-bromo-5-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 137347373
2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110537991

Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The IUPAC name of 5-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine (CID 151827977) is 5-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine is Cc1ccc(S(=O)(=O)n2ccc3cc(I)cnc32)cc1.
What is the InChIKey of 5-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The InChIKey is SEASKSHBBLMGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IN2O2S/c1-10-2-4-13(5-3-10)20(18,19)17-7-6-11-8-12(15)9-16-14(11)17/h2-9H,1H3.
What are the key properties of 5-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
5-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine has a molecular weight of 398.23 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 151827977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).