3-chloroprop-1-ene-2-sulfonyl chloride

C3H4Cl2O2S — CID 55280037

IUPAC3-chloroprop-1-ene-2-sulfonyl chloride
SMILESC=C(CCl)S(=O)(=O)Cl
InChIInChI=1S/C3H4Cl2O2S/c1-3(2-4)8(5,6)7/h1-2H2
InChIKeyDTRVXXBLQQSDEJ-UHFFFAOYSA-N
MW175.04 g/mol
LogP1.31
Rot. Bonds2

About 3-chloroprop-1-ene-2-sulfonyl chloride

3-chloroprop-1-ene-2-sulfonyl chloride (PubChem CID 55280037) has the molecular formula C3H4Cl2O2S and a molecular weight of 175.04 g/mol. Its IUPAC name is 3-chloroprop-1-ene-2-sulfonyl chloride.

Molecular Properties

Compound Name3-chloroprop-1-ene-2-sulfonyl chloride
PubChem CID55280037
Molecular FormulaC3H4Cl2O2S
Molecular Weight175.04 g/mol
Exact Mass173.93
IUPAC Name3-chloroprop-1-ene-2-sulfonyl chloride
SMILESC=C(CCl)S(=O)(=O)Cl
InChIInChI=1S/C3H4Cl2O2S/c1-3(2-4)8(5,6)7/h1-2H2
InChIKeyDTRVXXBLQQSDEJ-UHFFFAOYSA-N
XLogP1.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.04
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloroprop-1-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 3-chloroprop-1-ene-2-sulfonyl chloride?
The IUPAC name of 3-chloroprop-1-ene-2-sulfonyl chloride (CID 55280037) is 3-chloroprop-1-ene-2-sulfonyl chloride.
What is the SMILES notation for 3-chloroprop-1-ene-2-sulfonyl chloride?
The canonical SMILES for 3-chloroprop-1-ene-2-sulfonyl chloride is C=C(CCl)S(=O)(=O)Cl.
What is the InChIKey of 3-chloroprop-1-ene-2-sulfonyl chloride?
The InChIKey is DTRVXXBLQQSDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4Cl2O2S/c1-3(2-4)8(5,6)7/h1-2H2.
What are the key properties of 3-chloroprop-1-ene-2-sulfonyl chloride?
3-chloroprop-1-ene-2-sulfonyl chloride has a molecular weight of 175.04 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloroprop-1-ene-2-sulfonyl chloride is sourced from PubChem (CID 55280037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).