5-cyanofuran-2-sulfonyl chloride

C5H2ClNO3S — CID 55279351

IUPAC5-cyanofuran-2-sulfonyl chloride
SMILESN#Cc1ccc(S(=O)(=O)Cl)o1
InChIInChI=1S/C5H2ClNO3S/c6-11(8,9)5-2-1-4(3-7)10-5/h1-2H
InChIKeyVNBDOZRYYRXFQQ-UHFFFAOYSA-N
MW191.59 g/mol
LogP1.08
Rot. Bonds1

About 5-cyanofuran-2-sulfonyl chloride

5-cyanofuran-2-sulfonyl chloride (PubChem CID 55279351) has the molecular formula C5H2ClNO3S and a molecular weight of 191.59 g/mol. Its IUPAC name is 5-cyanofuran-2-sulfonyl chloride.

Molecular Properties

Compound Name5-cyanofuran-2-sulfonyl chloride
PubChem CID55279351
Molecular FormulaC5H2ClNO3S
Molecular Weight191.59 g/mol
Exact Mass190.94
IUPAC Name5-cyanofuran-2-sulfonyl chloride
SMILESN#Cc1ccc(S(=O)(=O)Cl)o1
InChIInChI=1S/C5H2ClNO3S/c6-11(8,9)5-2-1-4(3-7)10-5/h1-2H
InChIKeyVNBDOZRYYRXFQQ-UHFFFAOYSA-N
XLogP1.08
TPSA71.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.59
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyanofuran-2-sulfonyl chloride?
The IUPAC name of 5-cyanofuran-2-sulfonyl chloride (CID 55279351) is 5-cyanofuran-2-sulfonyl chloride.
What is the SMILES notation for 5-cyanofuran-2-sulfonyl chloride?
The canonical SMILES for 5-cyanofuran-2-sulfonyl chloride is N#Cc1ccc(S(=O)(=O)Cl)o1.
What is the InChIKey of 5-cyanofuran-2-sulfonyl chloride?
The InChIKey is VNBDOZRYYRXFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClNO3S/c6-11(8,9)5-2-1-4(3-7)10-5/h1-2H.
What are the key properties of 5-cyanofuran-2-sulfonyl chloride?
5-cyanofuran-2-sulfonyl chloride has a molecular weight of 191.59 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyanofuran-2-sulfonyl chloride is sourced from PubChem (CID 55279351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).