4-iodopyridine-2-sulfonyl chloride

C5H3ClINO2S — CID 146526045

IUPAC4-iodopyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(I)ccn1
InChIInChI=1S/C5H3ClINO2S/c6-11(9,10)5-3-4(7)1-2-8-5/h1-3H
InChIKeySMVHJOJHXOXTEO-UHFFFAOYSA-N
MW303.51 g/mol
LogP1.61
Rot. Bonds1

About 4-iodopyridine-2-sulfonyl chloride

4-iodopyridine-2-sulfonyl chloride (PubChem CID 146526045) has the molecular formula C5H3ClINO2S and a molecular weight of 303.51 g/mol. Its IUPAC name is 4-iodopyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name4-iodopyridine-2-sulfonyl chloride
PubChem CID146526045
Molecular FormulaC5H3ClINO2S
Molecular Weight303.51 g/mol
Exact Mass302.86
IUPAC Name4-iodopyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(I)ccn1
InChIInChI=1S/C5H3ClINO2S/c6-11(9,10)5-3-4(7)1-2-8-5/h1-3H
InChIKeySMVHJOJHXOXTEO-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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Frequently Asked Questions

What is the IUPAC name of 4-iodopyridine-2-sulfonyl chloride?
The IUPAC name of 4-iodopyridine-2-sulfonyl chloride (CID 146526045) is 4-iodopyridine-2-sulfonyl chloride.
What is the SMILES notation for 4-iodopyridine-2-sulfonyl chloride?
The canonical SMILES for 4-iodopyridine-2-sulfonyl chloride is O=S(=O)(Cl)c1cc(I)ccn1.
What is the InChIKey of 4-iodopyridine-2-sulfonyl chloride?
The InChIKey is SMVHJOJHXOXTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClINO2S/c6-11(9,10)5-3-4(7)1-2-8-5/h1-3H.
What are the key properties of 4-iodopyridine-2-sulfonyl chloride?
4-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 4-iodopyridine-2-sulfonyl chloride is sourced from PubChem (CID 146526045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).