6-cyanopyridine-3-sulfonyl chloride

C6H3ClN2O2S — CID 47003190

IUPAC6-cyanopyridine-3-sulfonyl chloride
SMILESN#Cc1ccc(S(=O)(=O)Cl)cn1
InChIInChI=1S/C6H3ClN2O2S/c7-12(10,11)6-2-1-5(3-8)9-4-6/h1-2,4H
InChIKeyPIOYFAYYJPORLD-UHFFFAOYSA-N
MW202.62 g/mol
LogP0.88
Rot. Bonds1

About 6-cyanopyridine-3-sulfonyl chloride

6-cyanopyridine-3-sulfonyl chloride (PubChem CID 47003190) has the molecular formula C6H3ClN2O2S and a molecular weight of 202.62 g/mol. Its IUPAC name is 6-cyanopyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-cyanopyridine-3-sulfonyl chloride
PubChem CID47003190
Molecular FormulaC6H3ClN2O2S
Molecular Weight202.62 g/mol
Exact Mass201.96
IUPAC Name6-cyanopyridine-3-sulfonyl chloride
SMILESN#Cc1ccc(S(=O)(=O)Cl)cn1
InChIInChI=1S/C6H3ClN2O2S/c7-12(10,11)6-2-1-5(3-8)9-4-6/h1-2,4H
InChIKeyPIOYFAYYJPORLD-UHFFFAOYSA-N
XLogP0.88
TPSA70.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.62
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyanopyridine-3-sulfonyl chloride?
The IUPAC name of 6-cyanopyridine-3-sulfonyl chloride (CID 47003190) is 6-cyanopyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-cyanopyridine-3-sulfonyl chloride?
The canonical SMILES for 6-cyanopyridine-3-sulfonyl chloride is N#Cc1ccc(S(=O)(=O)Cl)cn1.
What is the InChIKey of 6-cyanopyridine-3-sulfonyl chloride?
The InChIKey is PIOYFAYYJPORLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2O2S/c7-12(10,11)6-2-1-5(3-8)9-4-6/h1-2,4H.
What are the key properties of 6-cyanopyridine-3-sulfonyl chloride?
6-cyanopyridine-3-sulfonyl chloride has a molecular weight of 202.62 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyanopyridine-3-sulfonyl chloride is sourced from PubChem (CID 47003190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).