5-fluoro-2-[2-(oxolan-2-yl)ethenylsulfonyl]-1,3-dihydroisoindole

C14H16FNO3S — CID 76644377

IUPAC5-fluoro-2-[2-(oxolan-2-yl)ethenylsulfonyl]-1,3-dihydroisoindole
SMILESO=S(=O)(C=CC1CCCO1)N1Cc2ccc(F)cc2C1
InChIInChI=1S/C14H16FNO3S/c15-13-4-3-11-9-16(10-12(11)8-13)20(17,18)7-5-14-2-1-6-19-14/h3-5,7-8,14H,1-2,6,9-10H2
InChIKeyBMKUYXPDIKVKRP-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.16
Rot. Bonds3

About 5-fluoro-2-[2-(oxolan-2-yl)ethenylsulfonyl]-1,3-dihydroisoindole

5-fluoro-2-[2-(oxolan-2-yl)ethenylsulfonyl]-1,3-dihydroisoindole (PubChem CID 76644377) has the molecular formula C14H16FNO3S and a molecular weight of 297.35 g/mol. Its IUPAC name is 5-fluoro-2-[2-(oxolan-2-yl)ethenylsulfonyl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name5-fluoro-2-[2-(oxolan-2-yl)ethenylsulfonyl]-1,3-dihydroisoindole
PubChem CID76644377
Molecular FormulaC14H16FNO3S
Molecular Weight297.35 g/mol
Exact Mass297.08
IUPAC Name5-fluoro-2-[2-(oxolan-2-yl)ethenylsulfonyl]-1,3-dihydroisoindole
SMILESO=S(=O)(C=CC1CCCO1)N1Cc2ccc(F)cc2C1
InChIInChI=1S/C14H16FNO3S/c15-13-4-3-11-9-16(10-12(11)8-13)20(17,18)7-5-14-2-1-6-19-14/h3-5,7-8,14H,1-2,6,9-10H2
InChIKeyBMKUYXPDIKVKRP-UHFFFAOYSA-N
XLogP2.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[2-(oxolan-2-yl)ethenylsulfonyl]-1,3-dihydroisoindole?
The IUPAC name of 5-fluoro-2-[2-(oxolan-2-yl)ethenylsulfonyl]-1,3-dihydroisoindole (CID 76644377) is 5-fluoro-2-[2-(oxolan-2-yl)ethenylsulfonyl]-1,3-dihydroisoindole.
What is the SMILES notation for 5-fluoro-2-[2-(oxolan-2-yl)ethenylsulfonyl]-1,3-dihydroisoindole?
The canonical SMILES for 5-fluoro-2-[2-(oxolan-2-yl)ethenylsulfonyl]-1,3-dihydroisoindole is O=S(=O)(C=CC1CCCO1)N1Cc2ccc(F)cc2C1.
What is the InChIKey of 5-fluoro-2-[2-(oxolan-2-yl)ethenylsulfonyl]-1,3-dihydroisoindole?
The InChIKey is BMKUYXPDIKVKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3S/c15-13-4-3-11-9-16(10-12(11)8-13)20(17,18)7-5-14-2-1-6-19-14/h3-5,7-8,14H,1-2,6,9-10H2.
What are the key properties of 5-fluoro-2-[2-(oxolan-2-yl)ethenylsulfonyl]-1,3-dihydroisoindole?
5-fluoro-2-[2-(oxolan-2-yl)ethenylsulfonyl]-1,3-dihydroisoindole has a molecular weight of 297.35 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[2-(oxolan-2-yl)ethenylsulfonyl]-1,3-dihydroisoindole is sourced from PubChem (CID 76644377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).