3-chloropropane-1,2-disulfonyl chloride

C3H5Cl3O4S2 — CID 56607494

IUPAC3-chloropropane-1,2-disulfonyl chloride
SMILESO=S(=O)(Cl)CC(CCl)S(=O)(=O)Cl
InChIInChI=1S/C3H5Cl3O4S2/c4-1-3(12(6,9)10)2-11(5,7)8/h3H,1-2H2
InChIKeyVUJVYUJUMAYKFW-UHFFFAOYSA-N
MW275.56 g/mol
LogP0.73
Rot. Bonds4

About 3-chloropropane-1,2-disulfonyl chloride

3-chloropropane-1,2-disulfonyl chloride (PubChem CID 56607494) has the molecular formula C3H5Cl3O4S2 and a molecular weight of 275.56 g/mol. Its IUPAC name is 3-chloropropane-1,2-disulfonyl chloride.

Molecular Properties

Compound Name3-chloropropane-1,2-disulfonyl chloride
PubChem CID56607494
Molecular FormulaC3H5Cl3O4S2
Molecular Weight275.56 g/mol
Exact Mass273.87
IUPAC Name3-chloropropane-1,2-disulfonyl chloride
SMILESO=S(=O)(Cl)CC(CCl)S(=O)(=O)Cl
InChIInChI=1S/C3H5Cl3O4S2/c4-1-3(12(6,9)10)2-11(5,7)8/h3H,1-2H2
InChIKeyVUJVYUJUMAYKFW-UHFFFAOYSA-N
XLogP0.73
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.56
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-chloropropane-1,2-disulfonyl chloride?
The IUPAC name of 3-chloropropane-1,2-disulfonyl chloride (CID 56607494) is 3-chloropropane-1,2-disulfonyl chloride.
What is the SMILES notation for 3-chloropropane-1,2-disulfonyl chloride?
The canonical SMILES for 3-chloropropane-1,2-disulfonyl chloride is O=S(=O)(Cl)CC(CCl)S(=O)(=O)Cl.
What is the InChIKey of 3-chloropropane-1,2-disulfonyl chloride?
The InChIKey is VUJVYUJUMAYKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5Cl3O4S2/c4-1-3(12(6,9)10)2-11(5,7)8/h3H,1-2H2.
What are the key properties of 3-chloropropane-1,2-disulfonyl chloride?
3-chloropropane-1,2-disulfonyl chloride has a molecular weight of 275.56 g/mol, XLogP of 0.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropane-1,2-disulfonyl chloride is sourced from PubChem (CID 56607494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).