7-oxo-6-azabicyclo[3.2.0]hept-3-ene-6-sulfonyl chloride

C6H6ClNO3S — CID 71331780

IUPAC7-oxo-6-azabicyclo[3.2.0]hept-3-ene-6-sulfonyl chloride
SMILESO=C1C2CC=CC2N1S(=O)(=O)Cl
InChIInChI=1S/C6H6ClNO3S/c7-12(10,11)8-5-3-1-2-4(5)6(8)9/h1,3-5H,2H2
InChIKeyNJPALMCBMNMZKC-UHFFFAOYSA-N
MW207.64 g/mol
LogP0.26
Rot. Bonds1

About 7-oxo-6-azabicyclo[3.2.0]hept-3-ene-6-sulfonyl chloride

7-oxo-6-azabicyclo[3.2.0]hept-3-ene-6-sulfonyl chloride (PubChem CID 71331780) has the molecular formula C6H6ClNO3S and a molecular weight of 207.64 g/mol. Its IUPAC name is 7-oxo-6-azabicyclo[3.2.0]hept-3-ene-6-sulfonyl chloride.

Molecular Properties

Compound Name7-oxo-6-azabicyclo[3.2.0]hept-3-ene-6-sulfonyl chloride
PubChem CID71331780
Molecular FormulaC6H6ClNO3S
Molecular Weight207.64 g/mol
Exact Mass206.98
IUPAC Name7-oxo-6-azabicyclo[3.2.0]hept-3-ene-6-sulfonyl chloride
SMILESO=C1C2CC=CC2N1S(=O)(=O)Cl
InChIInChI=1S/C6H6ClNO3S/c7-12(10,11)8-5-3-1-2-4(5)6(8)9/h1,3-5H,2H2
InChIKeyNJPALMCBMNMZKC-UHFFFAOYSA-N
XLogP0.26
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.64
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-oxo-6-azabicyclo[3.2.0]hept-3-ene-6-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-oxo-6-azabicyclo[3.2.0]hept-3-ene-6-sulfonyl chloride?
The IUPAC name of 7-oxo-6-azabicyclo[3.2.0]hept-3-ene-6-sulfonyl chloride (CID 71331780) is 7-oxo-6-azabicyclo[3.2.0]hept-3-ene-6-sulfonyl chloride.
What is the SMILES notation for 7-oxo-6-azabicyclo[3.2.0]hept-3-ene-6-sulfonyl chloride?
The canonical SMILES for 7-oxo-6-azabicyclo[3.2.0]hept-3-ene-6-sulfonyl chloride is O=C1C2CC=CC2N1S(=O)(=O)Cl.
What is the InChIKey of 7-oxo-6-azabicyclo[3.2.0]hept-3-ene-6-sulfonyl chloride?
The InChIKey is NJPALMCBMNMZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO3S/c7-12(10,11)8-5-3-1-2-4(5)6(8)9/h1,3-5H,2H2.
What are the key properties of 7-oxo-6-azabicyclo[3.2.0]hept-3-ene-6-sulfonyl chloride?
7-oxo-6-azabicyclo[3.2.0]hept-3-ene-6-sulfonyl chloride has a molecular weight of 207.64 g/mol, XLogP of 0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-6-azabicyclo[3.2.0]hept-3-ene-6-sulfonyl chloride is sourced from PubChem (CID 71331780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).