3-iodopyridine-2-sulfonyl chloride

C5H3ClINO2S — CID 175963839

IUPAC3-iodopyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ncccc1I
InChIInChI=1S/C5H3ClINO2S/c6-11(9,10)5-4(7)2-1-3-8-5/h1-3H
InChIKeyQOBPFLGOQWHPLC-UHFFFAOYSA-N
MW303.51 g/mol
LogP1.61
Rot. Bonds1

About 3-iodopyridine-2-sulfonyl chloride

3-iodopyridine-2-sulfonyl chloride (PubChem CID 175963839) has the molecular formula C5H3ClINO2S and a molecular weight of 303.51 g/mol. Its IUPAC name is 3-iodopyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name3-iodopyridine-2-sulfonyl chloride
PubChem CID175963839
Molecular FormulaC5H3ClINO2S
Molecular Weight303.51 g/mol
Exact Mass302.86
IUPAC Name3-iodopyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ncccc1I
InChIInChI=1S/C5H3ClINO2S/c6-11(9,10)5-4(7)2-1-3-8-5/h1-3H
InChIKeyQOBPFLGOQWHPLC-UHFFFAOYSA-N
XLogP1.61
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.51
LogP ≤ 51.61
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-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 130088894
isoquinoline-1-sulfonyl chloride;hydrochloride
CID 19796336
3-methylpyridine-2-sulfonic acid
CID 2762782
3,4-dibromopyridine-2-sulfonyl chloride
CID 131008415
7-iodo-1,3-benzoxazole-2-sulfonyl chloride
CID 130952660
[[(3-chloro-2-pyridinyl)-methyl-oxo-λ6-sulfanylidene]amino]-trimethylsilane
CID 170607335
tert-butyl 4-[(3-iodo-2-pyridinyl)sulfonyl]piperazine-1-carboxylate
CID 53439234
2-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 23225574
5-iodonaphthalene-1-sulfonyl chloride
CID 2759366
4-iodopyridine-2-sulfonyl chloride
CID 146526045
1-(3-iodo-2-pyridinyl)ethanone
CID 69164908
3-iodo-2-methylbenzenesulfonyl chloride
CID 112694305

Frequently Asked Questions

What is the IUPAC name of 3-iodopyridine-2-sulfonyl chloride?
The IUPAC name of 3-iodopyridine-2-sulfonyl chloride (CID 175963839) is 3-iodopyridine-2-sulfonyl chloride.
What is the SMILES notation for 3-iodopyridine-2-sulfonyl chloride?
The canonical SMILES for 3-iodopyridine-2-sulfonyl chloride is O=S(=O)(Cl)c1ncccc1I.
What is the InChIKey of 3-iodopyridine-2-sulfonyl chloride?
The InChIKey is QOBPFLGOQWHPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClINO2S/c6-11(9,10)5-4(7)2-1-3-8-5/h1-3H.
What are the key properties of 3-iodopyridine-2-sulfonyl chloride?
3-iodopyridine-2-sulfonyl chloride has a molecular weight of 303.51 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodopyridine-2-sulfonyl chloride is sourced from PubChem (CID 175963839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).