2,3-dihydropyridine-6-sulfonyl chloride

C5H6ClNO2S — CID 91310032

IUPAC2,3-dihydropyridine-6-sulfonyl chloride
SMILESO=S(=O)(Cl)C1=NCCC=C1
InChIInChI=1S/C5H6ClNO2S/c6-10(8,9)5-3-1-2-4-7-5/h1,3H,2,4H2
InChIKeyNTNHRVMSJULDOC-UHFFFAOYSA-N
MW179.63 g/mol
LogP0.91
Rot. Bonds

About 2,3-dihydropyridine-6-sulfonyl chloride

2,3-dihydropyridine-6-sulfonyl chloride (PubChem CID 91310032) has the molecular formula C5H6ClNO2S and a molecular weight of 179.63 g/mol. Its IUPAC name is 2,3-dihydropyridine-6-sulfonyl chloride.

Molecular Properties

Compound Name2,3-dihydropyridine-6-sulfonyl chloride
PubChem CID91310032
Molecular FormulaC5H6ClNO2S
Molecular Weight179.63 g/mol
Exact Mass178.98
IUPAC Name2,3-dihydropyridine-6-sulfonyl chloride
SMILESO=S(=O)(Cl)C1=NCCC=C1
InChIInChI=1S/C5H6ClNO2S/c6-10(8,9)5-3-1-2-4-7-5/h1,3H,2,4H2
InChIKeyNTNHRVMSJULDOC-UHFFFAOYSA-N
XLogP0.91
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.63
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyridine-6-sulfonyl chloride?
The IUPAC name of 2,3-dihydropyridine-6-sulfonyl chloride (CID 91310032) is 2,3-dihydropyridine-6-sulfonyl chloride.
What is the SMILES notation for 2,3-dihydropyridine-6-sulfonyl chloride?
The canonical SMILES for 2,3-dihydropyridine-6-sulfonyl chloride is O=S(=O)(Cl)C1=NCCC=C1.
What is the InChIKey of 2,3-dihydropyridine-6-sulfonyl chloride?
The InChIKey is NTNHRVMSJULDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNO2S/c6-10(8,9)5-3-1-2-4-7-5/h1,3H,2,4H2.
What are the key properties of 2,3-dihydropyridine-6-sulfonyl chloride?
2,3-dihydropyridine-6-sulfonyl chloride has a molecular weight of 179.63 g/mol, XLogP of 0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyridine-6-sulfonyl chloride is sourced from PubChem (CID 91310032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).