5-(benzenesulfonyl)-6-iodopyrrolo[2,3-b]pyrazine

C12H8IN3O2S — CID 141293822

IUPAC5-(benzenesulfonyl)-6-iodopyrrolo[2,3-b]pyrazine
SMILESO=S(=O)(c1ccccc1)n1c(I)cc2nccnc21
InChIInChI=1S/C12H8IN3O2S/c13-11-8-10-12(15-7-6-14-10)16(11)19(17,18)9-4-2-1-3-5-9/h1-8H
InChIKeyGIMGJVPRGQBGTK-UHFFFAOYSA-N
MW385.19 g/mol
LogP2.27
Rot. Bonds2

About 5-(benzenesulfonyl)-6-iodopyrrolo[2,3-b]pyrazine

5-(benzenesulfonyl)-6-iodopyrrolo[2,3-b]pyrazine (PubChem CID 141293822) has the molecular formula C12H8IN3O2S and a molecular weight of 385.19 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-6-iodopyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name5-(benzenesulfonyl)-6-iodopyrrolo[2,3-b]pyrazine
PubChem CID141293822
Molecular FormulaC12H8IN3O2S
Molecular Weight385.19 g/mol
Exact Mass384.94
IUPAC Name5-(benzenesulfonyl)-6-iodopyrrolo[2,3-b]pyrazine
SMILESO=S(=O)(c1ccccc1)n1c(I)cc2nccnc21
InChIInChI=1S/C12H8IN3O2S/c13-11-8-10-12(15-7-6-14-10)16(11)19(17,18)9-4-2-1-3-5-9/h1-8H
InChIKeyGIMGJVPRGQBGTK-UHFFFAOYSA-N
XLogP2.27
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.19
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(benzenesulfonyl)-2-iodopyrrolo[3,2-b]pyridine
CID 121228658
1-(benzenesulfonyl)-2-iodo-4-methylpyrrolo[2,3-b]pyridine
CID 74888568
1-(benzenesulfonyl)-2-iodo-7-methylpyrrolo[3,2-b]pyridine
CID 123134946
1-(benzenesulfonyl)-5-fluoro-2-iodopyrrolo[2,3-b]pyridine
CID 121228726
1-(benzenesulfonyl)-6-fluoro-2-iodopyrrolo[3,2-b]pyridine
CID 123134965
1-(benzenesulfonyl)-5-bromo-2-iodo-4-methylpyrrolo[2,3-b]pyridine
CID 121228709
1-(benzenesulfonyl)-4-(5-fluoro-2-methoxyphenyl)-2-iodopyrrolo[2,3-b]pyridine
CID 90412233
[6-[1-(benzenesulfonyl)-2-iodopyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]methanol
CID 129186694
[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-b]pyridin-4-yl]boronic acid
CID 57416458
1-(benzenesulfonyl)-5-iodopyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 71299156
1-[1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridin-2-yl]ethanone
CID 59744435
1-(benzenesulfonyl)-2,5-dibromopyrrole
CID 71523732

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-6-iodopyrrolo[2,3-b]pyrazine?
The IUPAC name of 5-(benzenesulfonyl)-6-iodopyrrolo[2,3-b]pyrazine (CID 141293822) is 5-(benzenesulfonyl)-6-iodopyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 5-(benzenesulfonyl)-6-iodopyrrolo[2,3-b]pyrazine?
The canonical SMILES for 5-(benzenesulfonyl)-6-iodopyrrolo[2,3-b]pyrazine is O=S(=O)(c1ccccc1)n1c(I)cc2nccnc21.
What is the InChIKey of 5-(benzenesulfonyl)-6-iodopyrrolo[2,3-b]pyrazine?
The InChIKey is GIMGJVPRGQBGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8IN3O2S/c13-11-8-10-12(15-7-6-14-10)16(11)19(17,18)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 5-(benzenesulfonyl)-6-iodopyrrolo[2,3-b]pyrazine?
5-(benzenesulfonyl)-6-iodopyrrolo[2,3-b]pyrazine has a molecular weight of 385.19 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-6-iodopyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 141293822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).