2,3-dichloropropane-1-sulfonyl chloride

C3H5Cl3O2S — CID 12589227

IUPAC2,3-dichloropropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CC(Cl)CCl
InChIInChI=1S/C3H5Cl3O2S/c4-1-3(5)2-9(6,7)8/h3H,1-2H2
InChIKeyQVMRBEYLBVVAJW-UHFFFAOYSA-N
MW211.50 g/mol
LogP1.40
Rot. Bonds3

About 2,3-dichloropropane-1-sulfonyl chloride

2,3-dichloropropane-1-sulfonyl chloride (PubChem CID 12589227) has the molecular formula C3H5Cl3O2S and a molecular weight of 211.50 g/mol. Its IUPAC name is 2,3-dichloropropane-1-sulfonyl chloride.

Molecular Properties

Compound Name2,3-dichloropropane-1-sulfonyl chloride
PubChem CID12589227
Molecular FormulaC3H5Cl3O2S
Molecular Weight211.50 g/mol
Exact Mass209.91
IUPAC Name2,3-dichloropropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CC(Cl)CCl
InChIInChI=1S/C3H5Cl3O2S/c4-1-3(5)2-9(6,7)8/h3H,1-2H2
InChIKeyQVMRBEYLBVVAJW-UHFFFAOYSA-N
XLogP1.40
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.50
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloropropane-1-sulfonyl chloride?
The IUPAC name of 2,3-dichloropropane-1-sulfonyl chloride (CID 12589227) is 2,3-dichloropropane-1-sulfonyl chloride.
What is the SMILES notation for 2,3-dichloropropane-1-sulfonyl chloride?
The canonical SMILES for 2,3-dichloropropane-1-sulfonyl chloride is O=S(=O)(Cl)CC(Cl)CCl.
What is the InChIKey of 2,3-dichloropropane-1-sulfonyl chloride?
The InChIKey is QVMRBEYLBVVAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5Cl3O2S/c4-1-3(5)2-9(6,7)8/h3H,1-2H2.
What are the key properties of 2,3-dichloropropane-1-sulfonyl chloride?
2,3-dichloropropane-1-sulfonyl chloride has a molecular weight of 211.50 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloropropane-1-sulfonyl chloride is sourced from PubChem (CID 12589227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).