6-cyclopropyloxypyridine-3-sulfonyl chloride

C8H8ClNO3S — CID 130116328

IUPAC6-cyclopropyloxypyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OC2CC2)nc1
InChIInChI=1S/C8H8ClNO3S/c9-14(11,12)7-3-4-8(10-5-7)13-6-1-2-6/h3-6H,1-2H2
InChIKeyIMCWLRHYNVFCHH-UHFFFAOYSA-N
MW233.68 g/mol
LogP1.55
Rot. Bonds3

About 6-cyclopropyloxypyridine-3-sulfonyl chloride

6-cyclopropyloxypyridine-3-sulfonyl chloride (PubChem CID 130116328) has the molecular formula C8H8ClNO3S and a molecular weight of 233.68 g/mol. Its IUPAC name is 6-cyclopropyloxypyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-cyclopropyloxypyridine-3-sulfonyl chloride
PubChem CID130116328
Molecular FormulaC8H8ClNO3S
Molecular Weight233.68 g/mol
Exact Mass232.99
IUPAC Name6-cyclopropyloxypyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OC2CC2)nc1
InChIInChI=1S/C8H8ClNO3S/c9-14(11,12)7-3-4-8(10-5-7)13-6-1-2-6/h3-6H,1-2H2
InChIKeyIMCWLRHYNVFCHH-UHFFFAOYSA-N
XLogP1.55
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.68
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyloxypyridine-3-sulfonyl chloride?
The IUPAC name of 6-cyclopropyloxypyridine-3-sulfonyl chloride (CID 130116328) is 6-cyclopropyloxypyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-cyclopropyloxypyridine-3-sulfonyl chloride?
The canonical SMILES for 6-cyclopropyloxypyridine-3-sulfonyl chloride is O=S(=O)(Cl)c1ccc(OC2CC2)nc1.
What is the InChIKey of 6-cyclopropyloxypyridine-3-sulfonyl chloride?
The InChIKey is IMCWLRHYNVFCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO3S/c9-14(11,12)7-3-4-8(10-5-7)13-6-1-2-6/h3-6H,1-2H2.
What are the key properties of 6-cyclopropyloxypyridine-3-sulfonyl chloride?
6-cyclopropyloxypyridine-3-sulfonyl chloride has a molecular weight of 233.68 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyloxypyridine-3-sulfonyl chloride is sourced from PubChem (CID 130116328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).