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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Related Compounds

8-fluoro-2-(1-methoxybutan-2-ylsulfonyl)-3,4-dihydro-1H-isoquinoline
CID 138047363
2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-5-sulfonyl chloride
CID 55154595
2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 896528
2-ethyl-5-fluoro-3,4-dihydro-1H-isoquinoline
CID 58157151
ethane;2-ethyl-5-fluoro-3,4-dihydro-1H-isoquinoline
CID 143140351
4-ethylsulfonyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 65365747
4-fluoro-2-prop-1-en-2-yl-1,3-dihydroisoindole
CID 143037629
ethene;methyl 4-fluoro-1,3-dihydroisoindole-2-carboxylate
CID 143812546
ethane;4-fluoro-2-prop-1-en-2-yl-1,3-dihydroisoindole
CID 143037628
5-bromo-2-[(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-4-methyl-1,3-thiazole
CID 136520091
1-(5-chloro-2-fluorophenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 110819028
2-(2-fluorophenyl)sulfonyl-4-piperazin-1-yl-1,3-dihydroisoindole
CID 142592131

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).