3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonyl chloride

C11H10ClNO4S — CID 15453270

IUPAC3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonyl chloride
SMILESO=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Cl
InChIInChI=1S/C11H10ClNO4S/c12-18(16,17)7-3-6-13-10(14)8-4-1-2-5-9(8)11(13)15/h1-2,4-5H,3,6-7H2
InChIKeyRDXUBBUYWZAROQ-UHFFFAOYSA-N
MW287.72 g/mol
LogP1.24
Rot. Bonds4

About 3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonyl chloride

3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonyl chloride (PubChem CID 15453270) has the molecular formula C11H10ClNO4S and a molecular weight of 287.72 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonyl chloride
PubChem CID15453270
Molecular FormulaC11H10ClNO4S
Molecular Weight287.72 g/mol
Exact Mass287.00
IUPAC Name3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonyl chloride
SMILESO=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Cl
InChIInChI=1S/C11H10ClNO4S/c12-18(16,17)7-3-6-13-10(14)8-4-1-2-5-9(8)11(13)15/h1-2,4-5H,3,6-7H2
InChIKeyRDXUBBUYWZAROQ-UHFFFAOYSA-N
XLogP1.24
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.72
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonyl chloride?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonyl chloride (CID 15453270) is 3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonyl chloride.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonyl chloride?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonyl chloride is O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Cl.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonyl chloride?
The InChIKey is RDXUBBUYWZAROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO4S/c12-18(16,17)7-3-6-13-10(14)8-4-1-2-5-9(8)11(13)15/h1-2,4-5H,3,6-7H2.
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonyl chloride?
3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonyl chloride has a molecular weight of 287.72 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonyl chloride is sourced from PubChem (CID 15453270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).