1-(2-iodo-4-methylphenyl)sulfonyl-5-piperidin-1-ylpyrrolo[2,3-b]pyridine

C19H20IN3O2S — CID 155089688

IUPAC1-(2-iodo-4-methylphenyl)sulfonyl-5-piperidin-1-ylpyrrolo[2,3-b]pyridine
SMILESCc1ccc(S(=O)(=O)n2ccc3cc(N4CCCCC4)cnc32)c(I)c1
InChIInChI=1S/C19H20IN3O2S/c1-14-5-6-18(17(20)11-14)26(24,25)23-10-7-15-12-16(13-21-19(15)23)22-8-3-2-4-9-22/h5-7,10-13H,2-4,8-9H2,1H3
InChIKeySUHLOFKCUMXONB-UHFFFAOYSA-N
MW481.36 g/mol
LogP4.18
Rot. Bonds3

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

1-(2-iodo-4-methylphenyl)sulfonyl-5-piperidin-1-ylpyrrolo[2,3-b]pyridine (PubChem CID 155089688) has the molecular formula C19H20IN3O2S and a molecular weight of 481.36 g/mol. Its IUPAC name is 1-(2-iodo-4-methylphenyl)sulfonyl-5-piperidin-1-ylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(2-iodo-4-methylphenyl)sulfonyl-5-piperidin-1-ylpyrrolo[2,3-b]pyridine
PubChem CID155089688
Molecular FormulaC19H20IN3O2S
Molecular Weight481.36 g/mol
Exact Mass481.03
IUPAC Name1-(2-iodo-4-methylphenyl)sulfonyl-5-piperidin-1-ylpyrrolo[2,3-b]pyridine
SMILESCc1ccc(S(=O)(=O)n2ccc3cc(N4CCCCC4)cnc32)c(I)c1
InChIInChI=1S/C19H20IN3O2S/c1-14-5-6-18(17(20)11-14)26(24,25)23-10-7-15-12-16(13-21-19(15)23)22-8-3-2-4-9-22/h5-7,10-13H,2-4,8-9H2,1H3
InChIKeySUHLOFKCUMXONB-UHFFFAOYSA-N
XLogP4.18
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.36
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-iodo-4-methylphenyl)sulfonyl-5-piperidin-1-ylpyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(2-iodo-4-methylphenyl)sulfonyl-5-piperidin-1-ylpyrrolo[2,3-b]pyridine (CID 155089688) is 1-(2-iodo-4-methylphenyl)sulfonyl-5-piperidin-1-ylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(2-iodo-4-methylphenyl)sulfonyl-5-piperidin-1-ylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(2-iodo-4-methylphenyl)sulfonyl-5-piperidin-1-ylpyrrolo[2,3-b]pyridine is Cc1ccc(S(=O)(=O)n2ccc3cc(N4CCCCC4)cnc32)c(I)c1.
What is the InChIKey of 1-(2-iodo-4-methylphenyl)sulfonyl-5-piperidin-1-ylpyrrolo[2,3-b]pyridine?
The InChIKey is SUHLOFKCUMXONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20IN3O2S/c1-14-5-6-18(17(20)11-14)26(24,25)23-10-7-15-12-16(13-21-19(15)23)22-8-3-2-4-9-22/h5-7,10-13H,2-4,8-9H2,1H3.
What are the key properties of 1-(2-iodo-4-methylphenyl)sulfonyl-5-piperidin-1-ylpyrrolo[2,3-b]pyridine?
1-(2-iodo-4-methylphenyl)sulfonyl-5-piperidin-1-ylpyrrolo[2,3-b]pyridine has a molecular weight of 481.36 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodo-4-methylphenyl)sulfonyl-5-piperidin-1-ylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 155089688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).