1-(benzenesulfonyl)-3-(furan-3-yl)-5-pyridin-2-ylpyrrolo[2,3-b]pyridine

C22H15N3O3S — CID 59812133

IUPAC1-(benzenesulfonyl)-3-(furan-3-yl)-5-pyridin-2-ylpyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1ccccc1)n1cc(-c2ccoc2)c2cc(-c3ccccn3)cnc21
InChIInChI=1S/C22H15N3O3S/c26-29(27,18-6-2-1-3-7-18)25-14-20(16-9-11-28-15-16)19-12-17(13-24-22(19)25)21-8-4-5-10-23-21/h1-15H
InChIKeyQHTKRDBOPYLPMZ-UHFFFAOYSA-N
MW401.45 g/mol
LogP4.60
Rot. Bonds4

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

1-(benzenesulfonyl)-3-(furan-3-yl)-5-pyridin-2-ylpyrrolo[2,3-b]pyridine (PubChem CID 59812133) has the molecular formula C22H15N3O3S and a molecular weight of 401.45 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-(furan-3-yl)-5-pyridin-2-ylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-(furan-3-yl)-5-pyridin-2-ylpyrrolo[2,3-b]pyridine
PubChem CID59812133
Molecular FormulaC22H15N3O3S
Molecular Weight401.45 g/mol
Exact Mass401.08
IUPAC Name1-(benzenesulfonyl)-3-(furan-3-yl)-5-pyridin-2-ylpyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1ccccc1)n1cc(-c2ccoc2)c2cc(-c3ccccn3)cnc21
InChIInChI=1S/C22H15N3O3S/c26-29(27,18-6-2-1-3-7-18)25-14-20(16-9-11-28-15-16)19-12-17(13-24-22(19)25)21-8-4-5-10-23-21/h1-15H
InChIKeyQHTKRDBOPYLPMZ-UHFFFAOYSA-N
XLogP4.60
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(benzenesulfonyl)-5-(2-methoxyphenyl)-3-phenylpyrrolo[2,3-b]pyridine
CID 90239025
1-(benzenesulfonyl)-5-(2-phenoxyphenyl)-3-pyridin-4-ylpyrrolo[2,3-b]pyridine
CID 140510966
5-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole
CID 59812062
2-methyl-2-[4-[1-(4-methylphenyl)sulfonyl-5-phenylpyrrolo[2,3-b]pyridin-3-yl]phenyl]propanoic acid
CID 135062758
methyl 3-[1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]benzoate
CID 70964810
5-bromo-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine
CID 141325151
1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1-methylpyrrol-3-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;5-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
CID 161300103
1-(benzenesulfonyl)-5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
CID 10416758
1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-[(4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]pyrrolo[2,3-b]pyridine
CID 59238823
1-(benzenesulfonyl)-5-(2-phenoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine
CID 140510968
1-(benzenesulfonyl)-3-(furan-3-yl)-5-(2-phenoxy-3-pyridinyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(furan-3-yl)-5-(2-pyrimidin-2-yloxyphenyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;[3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane
CID 157404615
1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-(3,3,5-trimethylcyclohexen-1-yl)pyrrolo[2,3-b]pyridine
CID 59238688

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-(furan-3-yl)-5-pyridin-2-ylpyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-3-(furan-3-yl)-5-pyridin-2-ylpyrrolo[2,3-b]pyridine (CID 59812133) is 1-(benzenesulfonyl)-3-(furan-3-yl)-5-pyridin-2-ylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-3-(furan-3-yl)-5-pyridin-2-ylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-3-(furan-3-yl)-5-pyridin-2-ylpyrrolo[2,3-b]pyridine is O=S(=O)(c1ccccc1)n1cc(-c2ccoc2)c2cc(-c3ccccn3)cnc21.
What is the InChIKey of 1-(benzenesulfonyl)-3-(furan-3-yl)-5-pyridin-2-ylpyrrolo[2,3-b]pyridine?
The InChIKey is QHTKRDBOPYLPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O3S/c26-29(27,18-6-2-1-3-7-18)25-14-20(16-9-11-28-15-16)19-12-17(13-24-22(19)25)21-8-4-5-10-23-21/h1-15H.
What are the key properties of 1-(benzenesulfonyl)-3-(furan-3-yl)-5-pyridin-2-ylpyrrolo[2,3-b]pyridine?
1-(benzenesulfonyl)-3-(furan-3-yl)-5-pyridin-2-ylpyrrolo[2,3-b]pyridine has a molecular weight of 401.45 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-(furan-3-yl)-5-pyridin-2-ylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59812133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).