2-(3-chloroprop-1-enyl)benzenesulfonyl fluoride

C9H8ClFO2S — CID 169477591

IUPAC2-(3-chloroprop-1-enyl)benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccccc1C=CCCl
InChIInChI=1S/C9H8ClFO2S/c10-7-3-5-8-4-1-2-6-9(8)14(11,12)13/h1-6H,7H2
InChIKeyRJFZBALTKAJKMI-UHFFFAOYSA-N
MW234.68 g/mol
LogP2.60
Rot. Bonds3

About 2-(3-chloroprop-1-enyl)benzenesulfonyl fluoride

2-(3-chloroprop-1-enyl)benzenesulfonyl fluoride (PubChem CID 169477591) has the molecular formula C9H8ClFO2S and a molecular weight of 234.68 g/mol. Its IUPAC name is 2-(3-chloroprop-1-enyl)benzenesulfonyl fluoride.

Molecular Properties

Compound Name2-(3-chloroprop-1-enyl)benzenesulfonyl fluoride
PubChem CID169477591
Molecular FormulaC9H8ClFO2S
Molecular Weight234.68 g/mol
Exact Mass233.99
IUPAC Name2-(3-chloroprop-1-enyl)benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccccc1C=CCCl
InChIInChI=1S/C9H8ClFO2S/c10-7-3-5-8-4-1-2-6-9(8)14(11,12)13/h1-6H,7H2
InChIKeyRJFZBALTKAJKMI-UHFFFAOYSA-N
XLogP2.60
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.68
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-chloroprop-1-enyl)benzenesulfonyl fluoride 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 2-(3-chloroprop-1-enyl)benzenesulfonyl fluoride?
The IUPAC name of 2-(3-chloroprop-1-enyl)benzenesulfonyl fluoride (CID 169477591) is 2-(3-chloroprop-1-enyl)benzenesulfonyl fluoride.
What is the SMILES notation for 2-(3-chloroprop-1-enyl)benzenesulfonyl fluoride?
The canonical SMILES for 2-(3-chloroprop-1-enyl)benzenesulfonyl fluoride is O=S(=O)(F)c1ccccc1C=CCCl.
What is the InChIKey of 2-(3-chloroprop-1-enyl)benzenesulfonyl fluoride?
The InChIKey is RJFZBALTKAJKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO2S/c10-7-3-5-8-4-1-2-6-9(8)14(11,12)13/h1-6H,7H2.
What are the key properties of 2-(3-chloroprop-1-enyl)benzenesulfonyl fluoride?
2-(3-chloroprop-1-enyl)benzenesulfonyl fluoride has a molecular weight of 234.68 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroprop-1-enyl)benzenesulfonyl fluoride is sourced from PubChem (CID 169477591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).