4-hydroxy-N-iodo-1,1-dioxothiolane-3-sulfonamide

C4H8INO5S2 — CID 134185120

IUPAC4-hydroxy-N-iodo-1,1-dioxothiolane-3-sulfonamide
SMILESO=S1(=O)CC(O)C(S(=O)(=O)NI)C1
InChIInChI=1S/C4H8INO5S2/c5-6-13(10,11)4-2-12(8,9)1-3(4)7/h3-4,6-7H,1-2H2
InChIKeyTYKVZNZEHXUREV-UHFFFAOYSA-N
MW341.15 g/mol
LogP-1.59
Rot. Bonds2

About 4-hydroxy-N-iodo-1,1-dioxothiolane-3-sulfonamide

4-hydroxy-N-iodo-1,1-dioxothiolane-3-sulfonamide (PubChem CID 134185120) has the molecular formula C4H8INO5S2 and a molecular weight of 341.15 g/mol. Its IUPAC name is 4-hydroxy-N-iodo-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-iodo-1,1-dioxothiolane-3-sulfonamide
PubChem CID134185120
Molecular FormulaC4H8INO5S2
Molecular Weight341.15 g/mol
Exact Mass340.89
IUPAC Name4-hydroxy-N-iodo-1,1-dioxothiolane-3-sulfonamide
SMILESO=S1(=O)CC(O)C(S(=O)(=O)NI)C1
InChIInChI=1S/C4H8INO5S2/c5-6-13(10,11)4-2-12(8,9)1-3(4)7/h3-4,6-7H,1-2H2
InChIKeyTYKVZNZEHXUREV-UHFFFAOYSA-N
XLogP-1.59
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-iodo-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of 4-hydroxy-N-iodo-1,1-dioxothiolane-3-sulfonamide (CID 134185120) is 4-hydroxy-N-iodo-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for 4-hydroxy-N-iodo-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for 4-hydroxy-N-iodo-1,1-dioxothiolane-3-sulfonamide is O=S1(=O)CC(O)C(S(=O)(=O)NI)C1.
What is the InChIKey of 4-hydroxy-N-iodo-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is TYKVZNZEHXUREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8INO5S2/c5-6-13(10,11)4-2-12(8,9)1-3(4)7/h3-4,6-7H,1-2H2.
What are the key properties of 4-hydroxy-N-iodo-1,1-dioxothiolane-3-sulfonamide?
4-hydroxy-N-iodo-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 341.15 g/mol, XLogP of -1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-iodo-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 134185120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).