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

C13H9IN2O2S — CID 121228658

IUPAC1-(benzenesulfonyl)-2-iodopyrrolo[3,2-b]pyridine
SMILESO=S(=O)(c1ccccc1)n1c(I)cc2ncccc21
InChIInChI=1S/C13H9IN2O2S/c14-13-9-11-12(7-4-8-15-11)16(13)19(17,18)10-5-2-1-3-6-10/h1-9H
InChIKeyJHCZBNBLVCAJHA-UHFFFAOYSA-N
MW384.20 g/mol
LogP2.88
Rot. Bonds2

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

1-(benzenesulfonyl)-2-iodopyrrolo[3,2-b]pyridine (PubChem CID 121228658) has the molecular formula C13H9IN2O2S and a molecular weight of 384.20 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-iodopyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-iodopyrrolo[3,2-b]pyridine
PubChem CID121228658
Molecular FormulaC13H9IN2O2S
Molecular Weight384.20 g/mol
Exact Mass383.94
IUPAC Name1-(benzenesulfonyl)-2-iodopyrrolo[3,2-b]pyridine
SMILESO=S(=O)(c1ccccc1)n1c(I)cc2ncccc21
InChIInChI=1S/C13H9IN2O2S/c14-13-9-11-12(7-4-8-15-11)16(13)19(17,18)10-5-2-1-3-6-10/h1-9H
InChIKeyJHCZBNBLVCAJHA-UHFFFAOYSA-N
XLogP2.88
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.20
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-iodopyrrolo[3,2-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-2-iodopyrrolo[3,2-b]pyridine (CID 121228658) is 1-(benzenesulfonyl)-2-iodopyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-2-iodopyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-2-iodopyrrolo[3,2-b]pyridine is O=S(=O)(c1ccccc1)n1c(I)cc2ncccc21.
What is the InChIKey of 1-(benzenesulfonyl)-2-iodopyrrolo[3,2-b]pyridine?
The InChIKey is JHCZBNBLVCAJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9IN2O2S/c14-13-9-11-12(7-4-8-15-11)16(13)19(17,18)10-5-2-1-3-6-10/h1-9H.
What are the key properties of 1-(benzenesulfonyl)-2-iodopyrrolo[3,2-b]pyridine?
1-(benzenesulfonyl)-2-iodopyrrolo[3,2-b]pyridine has a molecular weight of 384.20 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-iodopyrrolo[3,2-b]pyridine is sourced from PubChem (CID 121228658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).