1-(benzenesulfonyl)-2-bromo-6-chloropyrrolo[2,3-b]pyridine

C13H8BrClN2O2S — CID 121228695

IUPAC1-(benzenesulfonyl)-2-bromo-6-chloropyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1ccccc1)n1c(Br)cc2ccc(Cl)nc21
InChIInChI=1S/C13H8BrClN2O2S/c14-11-8-9-6-7-12(15)16-13(9)17(11)20(18,19)10-4-2-1-3-5-10/h1-8H
InChIKeyBRHHXWJGAUGYNN-UHFFFAOYSA-N
MW371.64 g/mol
LogP3.69
Rot. Bonds2

About 1-(benzenesulfonyl)-2-bromo-6-chloropyrrolo[2,3-b]pyridine

1-(benzenesulfonyl)-2-bromo-6-chloropyrrolo[2,3-b]pyridine (PubChem CID 121228695) has the molecular formula C13H8BrClN2O2S and a molecular weight of 371.64 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-bromo-6-chloropyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-bromo-6-chloropyrrolo[2,3-b]pyridine
PubChem CID121228695
Molecular FormulaC13H8BrClN2O2S
Molecular Weight371.64 g/mol
Exact Mass369.92
IUPAC Name1-(benzenesulfonyl)-2-bromo-6-chloropyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1ccccc1)n1c(Br)cc2ccc(Cl)nc21
InChIInChI=1S/C13H8BrClN2O2S/c14-11-8-9-6-7-12(15)16-13(9)17(11)20(18,19)10-4-2-1-3-5-10/h1-8H
InChIKeyBRHHXWJGAUGYNN-UHFFFAOYSA-N
XLogP3.69
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.64
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

7-(benzenesulfonyl)-6-bromo-4-chloro-2-methylpyrrolo[2,3-d]pyrimidine
CID 155686533
1-(benzenesulfonyl)-2,5-dibromopyrrole
CID 71523732
9-(benzenesulfonyl)-2-chloro-6-(3-nitrophenyl)pyrido[2,3-b]indole
CID 46186443
9-(benzenesulfonyl)-2-chloro-6-[2-(4-methoxyphenyl)ethenyl]pyrido[2,3-b]indole
CID 87141046
1-(benzenesulfonyl)-2-chloroindole
CID 14416100
3-[1-(benzenesulfonyl)-5-chloropyrrolo[3,2-b]pyridin-2-yl]propanoic acid
CID 86098647
1-(benzenesulfonyl)-5-chloropyrrolo[3,2-b]pyridine
CID 18176436
1-(benzenesulfonyl)-2-chloro-5-methylpyrrolo[2,3-b]pyridine
CID 121228705
sodium 3-[1-(benzenesulfonyl)-5-chloropyrrolo[3,2-b]pyridin-2-yl]propanoate
CID 141163484
1-(benzenesulfonyl)-6-bromo-2-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolo[2,3-b]pyridine
CID 73013549
9-(benzenesulfonyl)-2-chloro-6-[1-(3-methoxyphenyl)ethenyl]pyrido[2,3-b]indole
CID 87141047
7-(benzenesulfonyl)-2,4-dichloropyrrolo[2,3-d]pyrimidine-6-carbaldehyde
CID 151802903

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-bromo-6-chloropyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-2-bromo-6-chloropyrrolo[2,3-b]pyridine (CID 121228695) is 1-(benzenesulfonyl)-2-bromo-6-chloropyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-2-bromo-6-chloropyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-2-bromo-6-chloropyrrolo[2,3-b]pyridine is O=S(=O)(c1ccccc1)n1c(Br)cc2ccc(Cl)nc21.
What is the InChIKey of 1-(benzenesulfonyl)-2-bromo-6-chloropyrrolo[2,3-b]pyridine?
The InChIKey is BRHHXWJGAUGYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN2O2S/c14-11-8-9-6-7-12(15)16-13(9)17(11)20(18,19)10-4-2-1-3-5-10/h1-8H.
What are the key properties of 1-(benzenesulfonyl)-2-bromo-6-chloropyrrolo[2,3-b]pyridine?
1-(benzenesulfonyl)-2-bromo-6-chloropyrrolo[2,3-b]pyridine has a molecular weight of 371.64 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-bromo-6-chloropyrrolo[2,3-b]pyridine is sourced from PubChem (CID 121228695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).