4-hydroxy-1,1-dioxothiolane-3-sulfonyl chloride

C4H7ClO5S2 — CID 4914839

IUPAC4-hydroxy-1,1-dioxothiolane-3-sulfonyl chloride
SMILESO=S1(=O)CC(O)C(S(=O)(=O)Cl)C1
InChIInChI=1S/C4H7ClO5S2/c5-12(9,10)4-2-11(7,8)1-3(4)6/h3-4,6H,1-2H2
InChIKeyVQTMWFFLLVODHT-UHFFFAOYSA-N
MW234.68 g/mol
LogP-1.29
Rot. Bonds1

About 4-hydroxy-1,1-dioxothiolane-3-sulfonyl chloride

4-hydroxy-1,1-dioxothiolane-3-sulfonyl chloride (PubChem CID 4914839) has the molecular formula C4H7ClO5S2 and a molecular weight of 234.68 g/mol. Its IUPAC name is 4-hydroxy-1,1-dioxothiolane-3-sulfonyl chloride.

Molecular Properties

Compound Name4-hydroxy-1,1-dioxothiolane-3-sulfonyl chloride
PubChem CID4914839
Molecular FormulaC4H7ClO5S2
Molecular Weight234.68 g/mol
Exact Mass233.94
IUPAC Name4-hydroxy-1,1-dioxothiolane-3-sulfonyl chloride
SMILESO=S1(=O)CC(O)C(S(=O)(=O)Cl)C1
InChIInChI=1S/C4H7ClO5S2/c5-12(9,10)4-2-11(7,8)1-3(4)6/h3-4,6H,1-2H2
InChIKeyVQTMWFFLLVODHT-UHFFFAOYSA-N
XLogP-1.29
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.68
LogP ≤ 5-1.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-hydroxy-1,1-dioxothiolane-3-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4R)-4-hydroxy-1,1-dioxothiolane-3-sulfonate
CID 7102151
(3R,4R)-4-methylsulfonyl-1,1-dioxothiolan-3-ol
CID 2317794
(3S,4S)-4-chloro-1,1-dioxothiolane-3-sulfonyl chloride
CID 98043148
(3S,4S)-1,1-dioxothiolane-3,4-diol
CID 7059048
1,1-dioxo-4-pentylsulfonylthiolan-3-ol
CID 3053238
4-chloro-1,1-dioxothiolane-3-sulfonic acid
CID 75459709
(3S,4R)-4-chloro-1,1-dioxothiolane-3-sulfonic acid
CID 97314694
(1S,2S,3S)-2,3-dihydroxycyclopentane-1-sulfonyl chloride
CID 178197914
cis-(1S,2R)-2-hydroxycyclohexane-1-sulfonyl chloride
CID 98123735
(3S,4S)-1,1-dioxo-4-sulfanylthiolane-3-sulfonic acid
CID 51414841
(3S,4R)-4-amino-1,1-dioxothiolan-3-ol
CID 1380000
(3S,4S)-4-amino-1,1-dioxothiolane-3-sulfonic acid
CID 134811451

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,1-dioxothiolane-3-sulfonyl chloride?
The IUPAC name of 4-hydroxy-1,1-dioxothiolane-3-sulfonyl chloride (CID 4914839) is 4-hydroxy-1,1-dioxothiolane-3-sulfonyl chloride.
What is the SMILES notation for 4-hydroxy-1,1-dioxothiolane-3-sulfonyl chloride?
The canonical SMILES for 4-hydroxy-1,1-dioxothiolane-3-sulfonyl chloride is O=S1(=O)CC(O)C(S(=O)(=O)Cl)C1.
What is the InChIKey of 4-hydroxy-1,1-dioxothiolane-3-sulfonyl chloride?
The InChIKey is VQTMWFFLLVODHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClO5S2/c5-12(9,10)4-2-11(7,8)1-3(4)6/h3-4,6H,1-2H2.
What are the key properties of 4-hydroxy-1,1-dioxothiolane-3-sulfonyl chloride?
4-hydroxy-1,1-dioxothiolane-3-sulfonyl chloride has a molecular weight of 234.68 g/mol, XLogP of -1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,1-dioxothiolane-3-sulfonyl chloride is sourced from PubChem (CID 4914839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).