but-3-ene-2-sulfonyl chloride

C4H7ClO2S — CID 55280641

IUPACbut-3-ene-2-sulfonyl chloride
SMILESC=CC(C)S(=O)(=O)Cl
InChIInChI=1S/C4H7ClO2S/c1-3-4(2)8(5,6)7/h3-4H,1H2,2H3
InChIKeyLLECRVVISFCZRP-UHFFFAOYSA-N
MW154.62 g/mol
LogP1.13
Rot. Bonds2

About but-3-ene-2-sulfonyl chloride

but-3-ene-2-sulfonyl chloride (PubChem CID 55280641) has the molecular formula C4H7ClO2S and a molecular weight of 154.62 g/mol. Its IUPAC name is but-3-ene-2-sulfonyl chloride.

Molecular Properties

Compound Namebut-3-ene-2-sulfonyl chloride
PubChem CID55280641
Molecular FormulaC4H7ClO2S
Molecular Weight154.62 g/mol
Exact Mass153.99
IUPAC Namebut-3-ene-2-sulfonyl chloride
SMILESC=CC(C)S(=O)(=O)Cl
InChIInChI=1S/C4H7ClO2S/c1-3-4(2)8(5,6)7/h3-4H,1H2,2H3
InChIKeyLLECRVVISFCZRP-UHFFFAOYSA-N
XLogP1.13
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.62
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze but-3-ene-2-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 but-3-ene-2-sulfonyl chloride?
The IUPAC name of but-3-ene-2-sulfonyl chloride (CID 55280641) is but-3-ene-2-sulfonyl chloride.
What is the SMILES notation for but-3-ene-2-sulfonyl chloride?
The canonical SMILES for but-3-ene-2-sulfonyl chloride is C=CC(C)S(=O)(=O)Cl.
What is the InChIKey of but-3-ene-2-sulfonyl chloride?
The InChIKey is LLECRVVISFCZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClO2S/c1-3-4(2)8(5,6)7/h3-4H,1H2,2H3.
What are the key properties of but-3-ene-2-sulfonyl chloride?
but-3-ene-2-sulfonyl chloride has a molecular weight of 154.62 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-ene-2-sulfonyl chloride is sourced from PubChem (CID 55280641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).