5-chlorosulfonylpyridine-3-carbonyl chloride

C6H3Cl2NO3S — CID 55280542

IUPAC5-chlorosulfonylpyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cncc(S(=O)(=O)Cl)c1
InChIInChI=1S/C6H3Cl2NO3S/c7-6(10)4-1-5(3-9-2-4)13(8,11)12/h1-3H
InChIKeyLNGXIJBSHAQAGF-UHFFFAOYSA-N
MW240.07 g/mol
LogP1.39
Rot. Bonds2

About 5-chlorosulfonylpyridine-3-carbonyl chloride

5-chlorosulfonylpyridine-3-carbonyl chloride (PubChem CID 55280542) has the molecular formula C6H3Cl2NO3S and a molecular weight of 240.07 g/mol. Its IUPAC name is 5-chlorosulfonylpyridine-3-carbonyl chloride.

Molecular Properties

Compound Name5-chlorosulfonylpyridine-3-carbonyl chloride
PubChem CID55280542
Molecular FormulaC6H3Cl2NO3S
Molecular Weight240.07 g/mol
Exact Mass238.92
IUPAC Name5-chlorosulfonylpyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cncc(S(=O)(=O)Cl)c1
InChIInChI=1S/C6H3Cl2NO3S/c7-6(10)4-1-5(3-9-2-4)13(8,11)12/h1-3H
InChIKeyLNGXIJBSHAQAGF-UHFFFAOYSA-N
XLogP1.39
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.07
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chlorosulfonylpyridine-3-carbonyl chloride?
The IUPAC name of 5-chlorosulfonylpyridine-3-carbonyl chloride (CID 55280542) is 5-chlorosulfonylpyridine-3-carbonyl chloride.
What is the SMILES notation for 5-chlorosulfonylpyridine-3-carbonyl chloride?
The canonical SMILES for 5-chlorosulfonylpyridine-3-carbonyl chloride is O=C(Cl)c1cncc(S(=O)(=O)Cl)c1.
What is the InChIKey of 5-chlorosulfonylpyridine-3-carbonyl chloride?
The InChIKey is LNGXIJBSHAQAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2NO3S/c7-6(10)4-1-5(3-9-2-4)13(8,11)12/h1-3H.
What are the key properties of 5-chlorosulfonylpyridine-3-carbonyl chloride?
5-chlorosulfonylpyridine-3-carbonyl chloride has a molecular weight of 240.07 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorosulfonylpyridine-3-carbonyl chloride is sourced from PubChem (CID 55280542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).