1,1-diiodoethanesulfonyl chloride

C2H3ClI2O2S — CID 54187049

IUPAC1,1-diiodoethanesulfonyl chloride
SMILESCC(I)(I)S(=O)(=O)Cl
InChIInChI=1S/C2H3ClI2O2S/c1-2(4,5)8(3,6)7/h1H3
InChIKeyPFUOYUOALJGWMH-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.10
Rot. Bonds1

About 1,1-diiodoethanesulfonyl chloride

1,1-diiodoethanesulfonyl chloride (PubChem CID 54187049) has the molecular formula C2H3ClI2O2S and a molecular weight of 380.37 g/mol. Its IUPAC name is 1,1-diiodoethanesulfonyl chloride.

Molecular Properties

Compound Name1,1-diiodoethanesulfonyl chloride
PubChem CID54187049
Molecular FormulaC2H3ClI2O2S
Molecular Weight380.37 g/mol
Exact Mass379.76
IUPAC Name1,1-diiodoethanesulfonyl chloride
SMILESCC(I)(I)S(=O)(=O)Cl
InChIInChI=1S/C2H3ClI2O2S/c1-2(4,5)8(3,6)7/h1H3
InChIKeyPFUOYUOALJGWMH-UHFFFAOYSA-N
XLogP2.10
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,3-trimethylbutane-2-sulfonyl chloride
CID 116866363
1-chloro-2-methylpropane-2-sulfonyl chloride
CID 135077312
iodomethane;methanesulfonyl chloride
CID 123541461
potassium;methane;2-methylpropan-2-olate;sulfuryl dichloride
CID 173139081
1,1-dichloro-1-iodoethane
CID 23510619
CID 59953690
CID 59953690
azane;trifluoromethanesulfonyl chloride
CID 87630754
2-chloro-2-methylpropane-1-sulfonyl chloride
CID 55280039
1,1-difluoro-2-hydroxyethanesulfonyl chloride
CID 58288757
1-(1,1-diiodoethylsulfonyl)-4-methylbenzene
CID 54291723
2-(4-methylcyclohexyl)propane-2-sulfonyl chloride
CID 165474295
2-iodopropan-2-yl(trimethyl)-λ4-sulfane
CID 139493471

Frequently Asked Questions

What is the IUPAC name of 1,1-diiodoethanesulfonyl chloride?
The IUPAC name of 1,1-diiodoethanesulfonyl chloride (CID 54187049) is 1,1-diiodoethanesulfonyl chloride.
What is the SMILES notation for 1,1-diiodoethanesulfonyl chloride?
The canonical SMILES for 1,1-diiodoethanesulfonyl chloride is CC(I)(I)S(=O)(=O)Cl.
What is the InChIKey of 1,1-diiodoethanesulfonyl chloride?
The InChIKey is PFUOYUOALJGWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3ClI2O2S/c1-2(4,5)8(3,6)7/h1H3.
What are the key properties of 1,1-diiodoethanesulfonyl chloride?
1,1-diiodoethanesulfonyl chloride has a molecular weight of 380.37 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diiodoethanesulfonyl chloride is sourced from PubChem (CID 54187049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).