2-(1,3-dioxoisoindol-2-yl)ethanesulfonyl fluoride

C10H8FNO4S — CID 3095827

IUPAC2-(1,3-dioxoisoindol-2-yl)ethanesulfonyl fluoride
SMILESO=C1c2ccccc2C(=O)N1CCS(=O)(=O)F
InChIInChI=1S/C10H8FNO4S/c11-17(15,16)6-5-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,5-6H2
InChIKeyXLFCXOFNSPMDND-UHFFFAOYSA-N
MW257.24 g/mol
LogP0.58
Rot. Bonds3

About 2-(1,3-dioxoisoindol-2-yl)ethanesulfonyl fluoride

2-(1,3-dioxoisoindol-2-yl)ethanesulfonyl fluoride (PubChem CID 3095827) has the molecular formula C10H8FNO4S and a molecular weight of 257.24 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)ethanesulfonyl fluoride.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)ethanesulfonyl fluoride
PubChem CID3095827
Molecular FormulaC10H8FNO4S
Molecular Weight257.24 g/mol
Exact Mass257.02
IUPAC Name2-(1,3-dioxoisoindol-2-yl)ethanesulfonyl fluoride
SMILESO=C1c2ccccc2C(=O)N1CCS(=O)(=O)F
InChIInChI=1S/C10H8FNO4S/c11-17(15,16)6-5-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,5-6H2
InChIKeyXLFCXOFNSPMDND-UHFFFAOYSA-N
XLogP0.58
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 50.58
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 2-(1,3-dioxoisoindol-2-yl)ethanesulfonyl fluoride?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethanesulfonyl fluoride (CID 3095827) is 2-(1,3-dioxoisoindol-2-yl)ethanesulfonyl fluoride.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)ethanesulfonyl fluoride?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)ethanesulfonyl fluoride is O=C1c2ccccc2C(=O)N1CCS(=O)(=O)F.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)ethanesulfonyl fluoride?
The InChIKey is XLFCXOFNSPMDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO4S/c11-17(15,16)6-5-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,5-6H2.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)ethanesulfonyl fluoride?
2-(1,3-dioxoisoindol-2-yl)ethanesulfonyl fluoride has a molecular weight of 257.24 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)ethanesulfonyl fluoride is sourced from PubChem (CID 3095827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).