1,3-dichloropropane-2-sulfonyl chloride

C3H5Cl3O2S — CID 55280261

IUPAC1,3-dichloropropane-2-sulfonyl chloride
SMILESO=S(=O)(Cl)C(CCl)CCl
InChIInChI=1S/C3H5Cl3O2S/c4-1-3(2-5)9(6,7)8/h3H,1-2H2
InChIKeyDGLQTOLSPYYWES-UHFFFAOYSA-N
MW211.50 g/mol
LogP1.40
Rot. Bonds3

About 1,3-dichloropropane-2-sulfonyl chloride

1,3-dichloropropane-2-sulfonyl chloride (PubChem CID 55280261) has the molecular formula C3H5Cl3O2S and a molecular weight of 211.50 g/mol. Its IUPAC name is 1,3-dichloropropane-2-sulfonyl chloride.

Molecular Properties

Compound Name1,3-dichloropropane-2-sulfonyl chloride
PubChem CID55280261
Molecular FormulaC3H5Cl3O2S
Molecular Weight211.50 g/mol
Exact Mass209.91
IUPAC Name1,3-dichloropropane-2-sulfonyl chloride
SMILESO=S(=O)(Cl)C(CCl)CCl
InChIInChI=1S/C3H5Cl3O2S/c4-1-3(2-5)9(6,7)8/h3H,1-2H2
InChIKeyDGLQTOLSPYYWES-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 1,3-dichloropropane-2-sulfonyl chloride?
The IUPAC name of 1,3-dichloropropane-2-sulfonyl chloride (CID 55280261) is 1,3-dichloropropane-2-sulfonyl chloride.
What is the SMILES notation for 1,3-dichloropropane-2-sulfonyl chloride?
The canonical SMILES for 1,3-dichloropropane-2-sulfonyl chloride is O=S(=O)(Cl)C(CCl)CCl.
What is the InChIKey of 1,3-dichloropropane-2-sulfonyl chloride?
The InChIKey is DGLQTOLSPYYWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5Cl3O2S/c4-1-3(2-5)9(6,7)8/h3H,1-2H2.
What are the key properties of 1,3-dichloropropane-2-sulfonyl chloride?
1,3-dichloropropane-2-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 1,3-dichloropropane-2-sulfonyl chloride is sourced from PubChem (CID 55280261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).