1-(benzenesulfonyl)-5-chloropyrrolo[3,2-b]pyridine

C13H9ClN2O2S — CID 18176436

IUPAC1-(benzenesulfonyl)-5-chloropyrrolo[3,2-b]pyridine
SMILESO=S(=O)(c1ccccc1)n1ccc2nc(Cl)ccc21
InChIInChI=1S/C13H9ClN2O2S/c14-13-7-6-12-11(15-13)8-9-16(12)19(17,18)10-4-2-1-3-5-10/h1-9H
InChIKeyZEGAUAITJNVRLG-UHFFFAOYSA-N
MW292.75 g/mol
LogP2.93
Rot. Bonds2

About 1-(benzenesulfonyl)-5-chloropyrrolo[3,2-b]pyridine

1-(benzenesulfonyl)-5-chloropyrrolo[3,2-b]pyridine (PubChem CID 18176436) has the molecular formula C13H9ClN2O2S and a molecular weight of 292.75 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-chloropyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-chloropyrrolo[3,2-b]pyridine
PubChem CID18176436
Molecular FormulaC13H9ClN2O2S
Molecular Weight292.75 g/mol
Exact Mass292.01
IUPAC Name1-(benzenesulfonyl)-5-chloropyrrolo[3,2-b]pyridine
SMILESO=S(=O)(c1ccccc1)n1ccc2nc(Cl)ccc21
InChIInChI=1S/C13H9ClN2O2S/c14-13-7-6-12-11(15-13)8-9-16(12)19(17,18)10-4-2-1-3-5-10/h1-9H
InChIKeyZEGAUAITJNVRLG-UHFFFAOYSA-N
XLogP2.93
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 52.93
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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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-chloropyrrolo[3,2-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-5-chloropyrrolo[3,2-b]pyridine (CID 18176436) is 1-(benzenesulfonyl)-5-chloropyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-5-chloropyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-5-chloropyrrolo[3,2-b]pyridine is O=S(=O)(c1ccccc1)n1ccc2nc(Cl)ccc21.
What is the InChIKey of 1-(benzenesulfonyl)-5-chloropyrrolo[3,2-b]pyridine?
The InChIKey is ZEGAUAITJNVRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2S/c14-13-7-6-12-11(15-13)8-9-16(12)19(17,18)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 1-(benzenesulfonyl)-5-chloropyrrolo[3,2-b]pyridine?
1-(benzenesulfonyl)-5-chloropyrrolo[3,2-b]pyridine has a molecular weight of 292.75 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-chloropyrrolo[3,2-b]pyridine is sourced from PubChem (CID 18176436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).