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1-(benzenesulfonyl)-5-(2-phenoxyphenyl)-3-pyridin-4-ylpyrrolo[2,3-b]pyridine

C30H21N3O3S — CID 140510966

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(benzenesulfonyl)-5-(2-phenoxyphenyl)-3-pyridin-4-ylpyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1ccccc1)n1cc(-c2ccncc2)c2cc(-c3ccccc3Oc3ccccc3)cnc21
InChIInChI=1S/C30H21N3O3S/c34-37(35,25-11-5-2-6-12-25)33-21-28(22-15-17-31-18-16-22)27-19-23(20-32-30(27)33)26-13-7-8-14-29(26)36-24-9-3-1-4-10-24/h1-21H
InChIKeyGONCVXVZLLLXBC-UHFFFAOYSA-N
MW503.58 g/mol
LogP6.79
Rot. Bonds6

About 1-(benzenesulfonyl)-5-(2-phenoxyphenyl)-3-pyridin-4-ylpyrrolo[2,3-b]pyridine

1-(benzenesulfonyl)-5-(2-phenoxyphenyl)-3-pyridin-4-ylpyrrolo[2,3-b]pyridine (PubChem CID 140510966) has the molecular formula C30H21N3O3S and a molecular weight of 503.58 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-(2-phenoxyphenyl)-3-pyridin-4-ylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-(2-phenoxyphenyl)-3-pyridin-4-ylpyrrolo[2,3-b]pyridine
PubChem CID140510966
Molecular FormulaC30H21N3O3S
Molecular Weight503.58 g/mol
Exact Mass503.13
IUPAC Name1-(benzenesulfonyl)-5-(2-phenoxyphenyl)-3-pyridin-4-ylpyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1ccccc1)n1cc(-c2ccncc2)c2cc(-c3ccccc3Oc3ccccc3)cnc21
InChIInChI=1S/C30H21N3O3S/c34-37(35,25-11-5-2-6-12-25)33-21-28(22-15-17-31-18-16-22)27-19-23(20-32-30(27)33)26-13-7-8-14-29(26)36-24-9-3-1-4-10-24/h1-21H
InChIKeyGONCVXVZLLLXBC-UHFFFAOYSA-N
XLogP6.79
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.58
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-(2-phenoxyphenyl)-3-pyridin-4-ylpyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-5-(2-phenoxyphenyl)-3-pyridin-4-ylpyrrolo[2,3-b]pyridine (CID 140510966) is 1-(benzenesulfonyl)-5-(2-phenoxyphenyl)-3-pyridin-4-ylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-5-(2-phenoxyphenyl)-3-pyridin-4-ylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-5-(2-phenoxyphenyl)-3-pyridin-4-ylpyrrolo[2,3-b]pyridine is O=S(=O)(c1ccccc1)n1cc(-c2ccncc2)c2cc(-c3ccccc3Oc3ccccc3)cnc21.
What is the InChIKey of 1-(benzenesulfonyl)-5-(2-phenoxyphenyl)-3-pyridin-4-ylpyrrolo[2,3-b]pyridine?
The InChIKey is GONCVXVZLLLXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N3O3S/c34-37(35,25-11-5-2-6-12-25)33-21-28(22-15-17-31-18-16-22)27-19-23(20-32-30(27)33)26-13-7-8-14-29(26)36-24-9-3-1-4-10-24/h1-21H.
What are the key properties of 1-(benzenesulfonyl)-5-(2-phenoxyphenyl)-3-pyridin-4-ylpyrrolo[2,3-b]pyridine?
1-(benzenesulfonyl)-5-(2-phenoxyphenyl)-3-pyridin-4-ylpyrrolo[2,3-b]pyridine has a molecular weight of 503.58 g/mol, XLogP of 6.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-(2-phenoxyphenyl)-3-pyridin-4-ylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 140510966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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