1-(benzenesulfonyl)-2-iodo-7-methylpyrrolo[3,2-b]pyridine

C14H11IN2O2S — CID 123134946

IUPAC1-(benzenesulfonyl)-2-iodo-7-methylpyrrolo[3,2-b]pyridine
SMILESCc1ccnc2cc(I)n(S(=O)(=O)c3ccccc3)c12
InChIInChI=1S/C14H11IN2O2S/c1-10-7-8-16-12-9-13(15)17(14(10)12)20(18,19)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyGBYKFMXCHCRXMC-UHFFFAOYSA-N
MW398.23 g/mol
LogP3.19
Rot. Bonds2

About 1-(benzenesulfonyl)-2-iodo-7-methylpyrrolo[3,2-b]pyridine

1-(benzenesulfonyl)-2-iodo-7-methylpyrrolo[3,2-b]pyridine (PubChem CID 123134946) has the molecular formula C14H11IN2O2S and a molecular weight of 398.23 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-iodo-7-methylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-iodo-7-methylpyrrolo[3,2-b]pyridine
PubChem CID123134946
Molecular FormulaC14H11IN2O2S
Molecular Weight398.23 g/mol
Exact Mass397.96
IUPAC Name1-(benzenesulfonyl)-2-iodo-7-methylpyrrolo[3,2-b]pyridine
SMILESCc1ccnc2cc(I)n(S(=O)(=O)c3ccccc3)c12
InChIInChI=1S/C14H11IN2O2S/c1-10-7-8-16-12-9-13(15)17(14(10)12)20(18,19)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyGBYKFMXCHCRXMC-UHFFFAOYSA-N
XLogP3.19
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.23
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(benzenesulfonyl)-2-iodo-4-methylpyrrolo[2,3-b]pyridine
CID 74888568
5-(benzenesulfonyl)-6-iodopyrrolo[2,3-b]pyrazine
CID 141293822
1-(benzenesulfonyl)-2-iodopyrrolo[3,2-b]pyridine
CID 121228658
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)-2-iodo-5-(6-methoxy-4-methyl-3-pyridinyl)pyrrolo[2,3-c]pyridine
CID 90184918
1-(benzenesulfonyl)-5-fluoro-2-iodopyrrolo[2,3-b]pyridine
CID 121228726
[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-b]pyridin-4-yl]boronic acid
CID 57416458
1-(benzenesulfonyl)-4-(5-fluoro-2-methoxyphenyl)-2-iodopyrrolo[2,3-b]pyridine
CID 90412233
1-(benzenesulfonyl)-2-methylbenzimidazole
CID 3468368
1-(benzenesulfonyl)-2-chloro-5-methylpyrrolo[2,3-b]pyridine
CID 121228705
1-(benzenesulfonyl)-2-[(3,4-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole
CID 20583459

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-iodo-7-methylpyrrolo[3,2-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-2-iodo-7-methylpyrrolo[3,2-b]pyridine (CID 123134946) is 1-(benzenesulfonyl)-2-iodo-7-methylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-2-iodo-7-methylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-2-iodo-7-methylpyrrolo[3,2-b]pyridine is Cc1ccnc2cc(I)n(S(=O)(=O)c3ccccc3)c12.
What is the InChIKey of 1-(benzenesulfonyl)-2-iodo-7-methylpyrrolo[3,2-b]pyridine?
The InChIKey is GBYKFMXCHCRXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IN2O2S/c1-10-7-8-16-12-9-13(15)17(14(10)12)20(18,19)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 1-(benzenesulfonyl)-2-iodo-7-methylpyrrolo[3,2-b]pyridine?
1-(benzenesulfonyl)-2-iodo-7-methylpyrrolo[3,2-b]pyridine has a molecular weight of 398.23 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-iodo-7-methylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 123134946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).