1-(benzenesulfonyl)-7-bromopyrrolo[2,3-c]pyridine

C13H9BrN2O2S — CID 164886533

IUPAC1-(benzenesulfonyl)-7-bromopyrrolo[2,3-c]pyridine
SMILESO=S(=O)(c1ccccc1)n1ccc2ccnc(Br)c21
InChIInChI=1S/C13H9BrN2O2S/c14-13-12-10(6-8-15-13)7-9-16(12)19(17,18)11-4-2-1-3-5-11/h1-9H
InChIKeyXMDRZPOJZSFDOS-UHFFFAOYSA-N
MW337.20 g/mol
LogP3.04
Rot. Bonds2

About 1-(benzenesulfonyl)-7-bromopyrrolo[2,3-c]pyridine

1-(benzenesulfonyl)-7-bromopyrrolo[2,3-c]pyridine (PubChem CID 164886533) has the molecular formula C13H9BrN2O2S and a molecular weight of 337.20 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-7-bromopyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-7-bromopyrrolo[2,3-c]pyridine
PubChem CID164886533
Molecular FormulaC13H9BrN2O2S
Molecular Weight337.20 g/mol
Exact Mass335.96
IUPAC Name1-(benzenesulfonyl)-7-bromopyrrolo[2,3-c]pyridine
SMILESO=S(=O)(c1ccccc1)n1ccc2ccnc(Br)c21
InChIInChI=1S/C13H9BrN2O2S/c14-13-12-10(6-8-15-13)7-9-16(12)19(17,18)11-4-2-1-3-5-11/h1-9H
InChIKeyXMDRZPOJZSFDOS-UHFFFAOYSA-N
XLogP3.04
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 53.04
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)-7-bromopyrrolo[2,3-c]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-7-bromopyrrolo[2,3-c]pyridine (CID 164886533) is 1-(benzenesulfonyl)-7-bromopyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-7-bromopyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-7-bromopyrrolo[2,3-c]pyridine is O=S(=O)(c1ccccc1)n1ccc2ccnc(Br)c21.
What is the InChIKey of 1-(benzenesulfonyl)-7-bromopyrrolo[2,3-c]pyridine?
The InChIKey is XMDRZPOJZSFDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O2S/c14-13-12-10(6-8-15-13)7-9-16(12)19(17,18)11-4-2-1-3-5-11/h1-9H.
What are the key properties of 1-(benzenesulfonyl)-7-bromopyrrolo[2,3-c]pyridine?
1-(benzenesulfonyl)-7-bromopyrrolo[2,3-c]pyridine has a molecular weight of 337.20 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-7-bromopyrrolo[2,3-c]pyridine is sourced from PubChem (CID 164886533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).