1,3-dioxoisoindole-5-sulfonyl chloride

C8H4ClNO4S — CID 15315536

IUPAC1,3-dioxoisoindole-5-sulfonyl chloride
SMILESO=C1NC(=O)c2cc(S(=O)(=O)Cl)ccc21
InChIInChI=1S/C8H4ClNO4S/c9-15(13,14)4-1-2-5-6(3-4)8(12)10-7(5)11/h1-3H,(H,10,11,12)
InChIKeySUEUJJPJLQOTBB-UHFFFAOYSA-N
MW245.64 g/mol
LogP0.50
Rot. Bonds1

About 1,3-dioxoisoindole-5-sulfonyl chloride

1,3-dioxoisoindole-5-sulfonyl chloride (PubChem CID 15315536) has the molecular formula C8H4ClNO4S and a molecular weight of 245.64 g/mol. Its IUPAC name is 1,3-dioxoisoindole-5-sulfonyl chloride.

Molecular Properties

Compound Name1,3-dioxoisoindole-5-sulfonyl chloride
PubChem CID15315536
Molecular FormulaC8H4ClNO4S
Molecular Weight245.64 g/mol
Exact Mass244.95
IUPAC Name1,3-dioxoisoindole-5-sulfonyl chloride
SMILESO=C1NC(=O)c2cc(S(=O)(=O)Cl)ccc21
InChIInChI=1S/C8H4ClNO4S/c9-15(13,14)4-1-2-5-6(3-4)8(12)10-7(5)11/h1-3H,(H,10,11,12)
InChIKeySUEUJJPJLQOTBB-UHFFFAOYSA-N
XLogP0.50
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.64
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Phthalimide
CID 6809
1,3-Dioxoisoindolin-2-yl 4-fluorobenzenesulfonate
CID 1582612
N-(Methylsulfonyloxy)-phthalimide
CID 262936
4-[(1,3-Dioxoisoindol-2-yl)methyl]benzenesulfonamide
CID 323350
2-Phthalimidoethanesulfonyl chloride
CID 308739
5-Phenylsulfanylisoindole-1,3-dione
CID 12615313
5-Benzylsulfanylisoindole-1,3-dione
CID 71456691
5-(2-Phenylethylsulfanyl)isoindole-1,3-dione
CID 71456692
4-[2-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl]benzenesulfonamide
CID 17774014
5-Cyclohexylsulfanyl-isoindole-1,3-dione
CID 66712998
2-(Benzenesulfonyl)isoindole-1,3-dione
CID 229606
Benzenesulfonic acid 1,3-dioxo-1,3-dihydro-isoindol-2-yl ester
CID 278068

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxoisoindole-5-sulfonyl chloride?
The IUPAC name of 1,3-dioxoisoindole-5-sulfonyl chloride (CID 15315536) is 1,3-dioxoisoindole-5-sulfonyl chloride.
What is the SMILES notation for 1,3-dioxoisoindole-5-sulfonyl chloride?
The canonical SMILES for 1,3-dioxoisoindole-5-sulfonyl chloride is O=C1NC(=O)c2cc(S(=O)(=O)Cl)ccc21.
What is the InChIKey of 1,3-dioxoisoindole-5-sulfonyl chloride?
The InChIKey is SUEUJJPJLQOTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClNO4S/c9-15(13,14)4-1-2-5-6(3-4)8(12)10-7(5)11/h1-3H,(H,10,11,12).
What are the key properties of 1,3-dioxoisoindole-5-sulfonyl chloride?
1,3-dioxoisoindole-5-sulfonyl chloride has a molecular weight of 245.64 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxoisoindole-5-sulfonyl chloride is sourced from PubChem (CID 15315536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).