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

C18H12BrN3O2S — CID 135062759

IUPAC1-(benzenesulfonyl)-5-bromo-3-pyridin-4-ylpyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1ccccc1)n1cc(-c2ccncc2)c2cc(Br)cnc21
InChIInChI=1S/C18H12BrN3O2S/c19-14-10-16-17(13-6-8-20-9-7-13)12-22(18(16)21-11-14)25(23,24)15-4-2-1-3-5-15/h1-12H
InChIKeyUCFKHOODJUMFIW-UHFFFAOYSA-N
MW414.28 g/mol
LogP4.10
Rot. Bonds3

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

1-(benzenesulfonyl)-5-bromo-3-pyridin-4-ylpyrrolo[2,3-b]pyridine (PubChem CID 135062759) has the molecular formula C18H12BrN3O2S and a molecular weight of 414.28 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-bromo-3-pyridin-4-ylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-bromo-3-pyridin-4-ylpyrrolo[2,3-b]pyridine
PubChem CID135062759
Molecular FormulaC18H12BrN3O2S
Molecular Weight414.28 g/mol
Exact Mass412.98
IUPAC Name1-(benzenesulfonyl)-5-bromo-3-pyridin-4-ylpyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1ccccc1)n1cc(-c2ccncc2)c2cc(Br)cnc21
InChIInChI=1S/C18H12BrN3O2S/c19-14-10-16-17(13-6-8-20-9-7-13)12-22(18(16)21-11-14)25(23,24)15-4-2-1-3-5-15/h1-12H
InChIKeyUCFKHOODJUMFIW-UHFFFAOYSA-N
XLogP4.10
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.28
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide
CID 134812697
4-[5-Bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyridin-2-amine
CID 44527045
1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
CID 852078
4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
CID 23648921
N-(5-(Imidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)benzenesulfonamide
CID 52936737
3-[(3-bromophenyl)sulfonyl]-1-piperidin-3-yl-1Hpyrrolo[2,3-b]pyridine
CID 44435639
3-[(3-bromophenyl)sulfonyl]-1-(1-isopropylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 44435644
6-(4-Methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)-4-pyridin-3-ylpyrrolo[2,3-b]pyridine
CID 127046963
6-(4-Methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)-4-phenylpyrrolo[2,3-b]pyridine
CID 127047776
4-(4-Ethylphenyl)-6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)pyrrolo[2,3-b]pyridine
CID 127047898
1-(Benzenesulfonyl)-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-b]pyridine
CID 137648205
5-bromo-N-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide
CID 155815886

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-bromo-3-pyridin-4-ylpyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-5-bromo-3-pyridin-4-ylpyrrolo[2,3-b]pyridine (CID 135062759) is 1-(benzenesulfonyl)-5-bromo-3-pyridin-4-ylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-5-bromo-3-pyridin-4-ylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-5-bromo-3-pyridin-4-ylpyrrolo[2,3-b]pyridine is O=S(=O)(c1ccccc1)n1cc(-c2ccncc2)c2cc(Br)cnc21.
What is the InChIKey of 1-(benzenesulfonyl)-5-bromo-3-pyridin-4-ylpyrrolo[2,3-b]pyridine?
The InChIKey is UCFKHOODJUMFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN3O2S/c19-14-10-16-17(13-6-8-20-9-7-13)12-22(18(16)21-11-14)25(23,24)15-4-2-1-3-5-15/h1-12H.
What are the key properties of 1-(benzenesulfonyl)-5-bromo-3-pyridin-4-ylpyrrolo[2,3-b]pyridine?
1-(benzenesulfonyl)-5-bromo-3-pyridin-4-ylpyrrolo[2,3-b]pyridine has a molecular weight of 414.28 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-bromo-3-pyridin-4-ylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 135062759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).