1,1-dioxo-2,5-dihydrothiophene-3-sulfonyl chloride

C4H5ClO4S2 — CID 2772264

IUPAC1,1-dioxo-2,5-dihydrothiophene-3-sulfonyl chloride
SMILESO=S1(=O)CC=C(S(=O)(=O)Cl)C1
InChIInChI=1S/C4H5ClO4S2/c5-11(8,9)4-1-2-10(6,7)3-4/h1H,2-3H2
InChIKeyCMQNDSUSUMJBLH-UHFFFAOYSA-N
MW216.67 g/mol
LogP-0.13
Rot. Bonds1

About 1,1-dioxo-2,5-dihydrothiophene-3-sulfonyl chloride

1,1-dioxo-2,5-dihydrothiophene-3-sulfonyl chloride (PubChem CID 2772264) has the molecular formula C4H5ClO4S2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 1,1-dioxo-2,5-dihydrothiophene-3-sulfonyl chloride.

Molecular Properties

Compound Name1,1-dioxo-2,5-dihydrothiophene-3-sulfonyl chloride
PubChem CID2772264
Molecular FormulaC4H5ClO4S2
Molecular Weight216.67 g/mol
Exact Mass215.93
IUPAC Name1,1-dioxo-2,5-dihydrothiophene-3-sulfonyl chloride
SMILESO=S1(=O)CC=C(S(=O)(=O)Cl)C1
InChIInChI=1S/C4H5ClO4S2/c5-11(8,9)4-1-2-10(6,7)3-4/h1H,2-3H2
InChIKeyCMQNDSUSUMJBLH-UHFFFAOYSA-N
XLogP-0.13
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-2,5-dihydrothiophene-3-sulfonyl chloride?
The IUPAC name of 1,1-dioxo-2,5-dihydrothiophene-3-sulfonyl chloride (CID 2772264) is 1,1-dioxo-2,5-dihydrothiophene-3-sulfonyl chloride.
What is the SMILES notation for 1,1-dioxo-2,5-dihydrothiophene-3-sulfonyl chloride?
The canonical SMILES for 1,1-dioxo-2,5-dihydrothiophene-3-sulfonyl chloride is O=S1(=O)CC=C(S(=O)(=O)Cl)C1.
What is the InChIKey of 1,1-dioxo-2,5-dihydrothiophene-3-sulfonyl chloride?
The InChIKey is CMQNDSUSUMJBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClO4S2/c5-11(8,9)4-1-2-10(6,7)3-4/h1H,2-3H2.
What are the key properties of 1,1-dioxo-2,5-dihydrothiophene-3-sulfonyl chloride?
1,1-dioxo-2,5-dihydrothiophene-3-sulfonyl chloride has a molecular weight of 216.67 g/mol, XLogP of -0.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-2,5-dihydrothiophene-3-sulfonyl chloride is sourced from PubChem (CID 2772264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).