1-(1,3-dihydroisoindol-2-yl)-2-(2-fluorophenyl)sulfonylethanone

C16H14FNO3S — CID 166512201

IUPAC1-(1,3-dihydroisoindol-2-yl)-2-(2-fluorophenyl)sulfonylethanone
SMILESO=C(CS(=O)(=O)c1ccccc1F)N1Cc2ccccc2C1
InChIInChI=1S/C16H14FNO3S/c17-14-7-3-4-8-15(14)22(20,21)11-16(19)18-9-12-5-1-2-6-13(12)10-18/h1-8H,9-11H2
InChIKeyFGKUAJSEQLWDMX-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.14
Rot. Bonds3

About 1-(1,3-dihydroisoindol-2-yl)-2-(2-fluorophenyl)sulfonylethanone

1-(1,3-dihydroisoindol-2-yl)-2-(2-fluorophenyl)sulfonylethanone (PubChem CID 166512201) has the molecular formula C16H14FNO3S and a molecular weight of 319.36 g/mol. Its IUPAC name is 1-(1,3-dihydroisoindol-2-yl)-2-(2-fluorophenyl)sulfonylethanone.

Molecular Properties

Compound Name1-(1,3-dihydroisoindol-2-yl)-2-(2-fluorophenyl)sulfonylethanone
PubChem CID166512201
Molecular FormulaC16H14FNO3S
Molecular Weight319.36 g/mol
Exact Mass319.07
IUPAC Name1-(1,3-dihydroisoindol-2-yl)-2-(2-fluorophenyl)sulfonylethanone
SMILESO=C(CS(=O)(=O)c1ccccc1F)N1Cc2ccccc2C1
InChIInChI=1S/C16H14FNO3S/c17-14-7-3-4-8-15(14)22(20,21)11-16(19)18-9-12-5-1-2-6-13(12)10-18/h1-8H,9-11H2
InChIKeyFGKUAJSEQLWDMX-UHFFFAOYSA-N
XLogP2.14
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroisoindol-2-yl)-2-(2-fluorophenyl)sulfonylethanone?
The IUPAC name of 1-(1,3-dihydroisoindol-2-yl)-2-(2-fluorophenyl)sulfonylethanone (CID 166512201) is 1-(1,3-dihydroisoindol-2-yl)-2-(2-fluorophenyl)sulfonylethanone.
What is the SMILES notation for 1-(1,3-dihydroisoindol-2-yl)-2-(2-fluorophenyl)sulfonylethanone?
The canonical SMILES for 1-(1,3-dihydroisoindol-2-yl)-2-(2-fluorophenyl)sulfonylethanone is O=C(CS(=O)(=O)c1ccccc1F)N1Cc2ccccc2C1.
What is the InChIKey of 1-(1,3-dihydroisoindol-2-yl)-2-(2-fluorophenyl)sulfonylethanone?
The InChIKey is FGKUAJSEQLWDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3S/c17-14-7-3-4-8-15(14)22(20,21)11-16(19)18-9-12-5-1-2-6-13(12)10-18/h1-8H,9-11H2.
What are the key properties of 1-(1,3-dihydroisoindol-2-yl)-2-(2-fluorophenyl)sulfonylethanone?
1-(1,3-dihydroisoindol-2-yl)-2-(2-fluorophenyl)sulfonylethanone has a molecular weight of 319.36 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroisoindol-2-yl)-2-(2-fluorophenyl)sulfonylethanone is sourced from PubChem (CID 166512201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).