3-(benzenesulfonyl)-5-iodopyridine

C11H8INO2S — CID 134266991

IUPAC3-(benzenesulfonyl)-5-iodopyridine
SMILESO=S(=O)(c1ccccc1)c1cncc(I)c1
InChIInChI=1S/C11H8INO2S/c12-9-6-11(8-13-7-9)16(14,15)10-4-2-1-3-5-10/h1-8H
InChIKeyAYJMRNAYBRKJJD-UHFFFAOYSA-N
MW345.16 g/mol
LogP2.52
Rot. Bonds2

About 3-(benzenesulfonyl)-5-iodopyridine

3-(benzenesulfonyl)-5-iodopyridine (PubChem CID 134266991) has the molecular formula C11H8INO2S and a molecular weight of 345.16 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-5-iodopyridine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-5-iodopyridine
PubChem CID134266991
Molecular FormulaC11H8INO2S
Molecular Weight345.16 g/mol
Exact Mass344.93
IUPAC Name3-(benzenesulfonyl)-5-iodopyridine
SMILESO=S(=O)(c1ccccc1)c1cncc(I)c1
InChIInChI=1S/C11H8INO2S/c12-9-6-11(8-13-7-9)16(14,15)10-4-2-1-3-5-10/h1-8H
InChIKeyAYJMRNAYBRKJJD-UHFFFAOYSA-N
XLogP2.52
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.16
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(benzenesulfonyl)pyridine
CID 5147032
benzenesulfonylbenzene;formonitrile
CID 174749173
1,3,5-tris(benzenesulfonyl)benzene
CID 11027467
benzenesulfonylbenzene;ethane;methanol
CID 123145310
benzenesulfonylbenzene;oxalic acid
CID 67897674
azanylidyneazanium;benzenesulfonylbenzene;tetrafluoroborate
CID 88812164
4-[4-(benzenesulfonyl)phenyl]pyridine
CID 119070513
3,6-bis(benzenesulfonyl)-1,2,4,5-tetrazine
CID 71416027
benzene;benzenesulfonylbenzene;ethane;methoxymethane
CID 158977372
3-chloro-5-(4-fluorophenyl)sulfonylpyridine
CID 70244379
1,2-bis(benzenesulfonyl)benzene
CID 19980733
(3S,4R,5R,6R)-6-[[5-(benzenesulfonyl)-3-pyridinyl]oxy]-3,4,5-trihydroxyoxane-2-sulfonic acid
CID 151064921

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-5-iodopyridine?
The IUPAC name of 3-(benzenesulfonyl)-5-iodopyridine (CID 134266991) is 3-(benzenesulfonyl)-5-iodopyridine.
What is the SMILES notation for 3-(benzenesulfonyl)-5-iodopyridine?
The canonical SMILES for 3-(benzenesulfonyl)-5-iodopyridine is O=S(=O)(c1ccccc1)c1cncc(I)c1.
What is the InChIKey of 3-(benzenesulfonyl)-5-iodopyridine?
The InChIKey is AYJMRNAYBRKJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8INO2S/c12-9-6-11(8-13-7-9)16(14,15)10-4-2-1-3-5-10/h1-8H.
What are the key properties of 3-(benzenesulfonyl)-5-iodopyridine?
3-(benzenesulfonyl)-5-iodopyridine has a molecular weight of 345.16 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-5-iodopyridine is sourced from PubChem (CID 134266991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).