2-ethylsulfonyl-4-fluoro-1,3-dihydroisoindole

C10H12FNO2S — CID 67574769

IUPAC2-ethylsulfonyl-4-fluoro-1,3-dihydroisoindole
SMILESCCS(=O)(=O)N1Cc2cccc(F)c2C1
InChIInChI=1S/C10H12FNO2S/c1-2-15(13,14)12-6-8-4-3-5-10(11)9(8)7-12/h3-5H,2,6-7H2,1H3
InChIKeyDCRZZFXXCILNBQ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.49
Rot. Bonds2

About 2-ethylsulfonyl-4-fluoro-1,3-dihydroisoindole

2-ethylsulfonyl-4-fluoro-1,3-dihydroisoindole (PubChem CID 67574769) has the molecular formula C10H12FNO2S and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-ethylsulfonyl-4-fluoro-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-ethylsulfonyl-4-fluoro-1,3-dihydroisoindole
PubChem CID67574769
Molecular FormulaC10H12FNO2S
Molecular Weight229.28 g/mol
Exact Mass229.06
IUPAC Name2-ethylsulfonyl-4-fluoro-1,3-dihydroisoindole
SMILESCCS(=O)(=O)N1Cc2cccc(F)c2C1
InChIInChI=1S/C10H12FNO2S/c1-2-15(13,14)12-6-8-4-3-5-10(11)9(8)7-12/h3-5H,2,6-7H2,1H3
InChIKeyDCRZZFXXCILNBQ-UHFFFAOYSA-N
XLogP1.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-4-fluoro-1,3-dihydroisoindole?
The IUPAC name of 2-ethylsulfonyl-4-fluoro-1,3-dihydroisoindole (CID 67574769) is 2-ethylsulfonyl-4-fluoro-1,3-dihydroisoindole.
What is the SMILES notation for 2-ethylsulfonyl-4-fluoro-1,3-dihydroisoindole?
The canonical SMILES for 2-ethylsulfonyl-4-fluoro-1,3-dihydroisoindole is CCS(=O)(=O)N1Cc2cccc(F)c2C1.
What is the InChIKey of 2-ethylsulfonyl-4-fluoro-1,3-dihydroisoindole?
The InChIKey is DCRZZFXXCILNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2S/c1-2-15(13,14)12-6-8-4-3-5-10(11)9(8)7-12/h3-5H,2,6-7H2,1H3.
What are the key properties of 2-ethylsulfonyl-4-fluoro-1,3-dihydroisoindole?
2-ethylsulfonyl-4-fluoro-1,3-dihydroisoindole has a molecular weight of 229.28 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-4-fluoro-1,3-dihydroisoindole is sourced from PubChem (CID 67574769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).