5-fluoro-2-[(E)-3-[(2R)-oxolan-2-yl]prop-2-enyl]sulfonyl-1,3-dihydroisoindole

C15H18FNO3S — CID 143448060

IUPAC5-fluoro-2-[(E)-3-[(2R)-oxolan-2-yl]prop-2-enyl]sulfonyl-1,3-dihydroisoindole
SMILESO=S(=O)(C/C=C/[C@H]1CCCO1)N1Cc2ccc(F)cc2C1
InChIInChI=1S/C15H18FNO3S/c16-14-6-5-12-10-17(11-13(12)9-14)21(18,19)8-2-4-15-3-1-7-20-15/h2,4-6,9,15H,1,3,7-8,10-11H2/b4-2+/t15-/m1/s1
InChIKeyLXGFCKGDTJMZNC-TXTHVTMNSA-N
MW311.38 g/mol
LogP2.21
Rot. Bonds4

About 5-fluoro-2-[(E)-3-[(2R)-oxolan-2-yl]prop-2-enyl]sulfonyl-1,3-dihydroisoindole

5-fluoro-2-[(E)-3-[(2R)-oxolan-2-yl]prop-2-enyl]sulfonyl-1,3-dihydroisoindole (PubChem CID 143448060) has the molecular formula C15H18FNO3S and a molecular weight of 311.38 g/mol. Its IUPAC name is 5-fluoro-2-[(E)-3-[(2R)-oxolan-2-yl]prop-2-enyl]sulfonyl-1,3-dihydroisoindole.

Molecular Properties

Compound Name5-fluoro-2-[(E)-3-[(2R)-oxolan-2-yl]prop-2-enyl]sulfonyl-1,3-dihydroisoindole
PubChem CID143448060
Molecular FormulaC15H18FNO3S
Molecular Weight311.38 g/mol
Exact Mass311.10
IUPAC Name5-fluoro-2-[(E)-3-[(2R)-oxolan-2-yl]prop-2-enyl]sulfonyl-1,3-dihydroisoindole
SMILESO=S(=O)(C/C=C/[C@H]1CCCO1)N1Cc2ccc(F)cc2C1
InChIInChI=1S/C15H18FNO3S/c16-14-6-5-12-10-17(11-13(12)9-14)21(18,19)8-2-4-15-3-1-7-20-15/h2,4-6,9,15H,1,3,7-8,10-11H2/b4-2+/t15-/m1/s1
InChIKeyLXGFCKGDTJMZNC-TXTHVTMNSA-N
XLogP2.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(E)-3-[(2R)-oxolan-2-yl]prop-2-enyl]sulfonyl-1,3-dihydroisoindole?
The IUPAC name of 5-fluoro-2-[(E)-3-[(2R)-oxolan-2-yl]prop-2-enyl]sulfonyl-1,3-dihydroisoindole (CID 143448060) is 5-fluoro-2-[(E)-3-[(2R)-oxolan-2-yl]prop-2-enyl]sulfonyl-1,3-dihydroisoindole.
What is the SMILES notation for 5-fluoro-2-[(E)-3-[(2R)-oxolan-2-yl]prop-2-enyl]sulfonyl-1,3-dihydroisoindole?
The canonical SMILES for 5-fluoro-2-[(E)-3-[(2R)-oxolan-2-yl]prop-2-enyl]sulfonyl-1,3-dihydroisoindole is O=S(=O)(C/C=C/[C@H]1CCCO1)N1Cc2ccc(F)cc2C1.
What is the InChIKey of 5-fluoro-2-[(E)-3-[(2R)-oxolan-2-yl]prop-2-enyl]sulfonyl-1,3-dihydroisoindole?
The InChIKey is LXGFCKGDTJMZNC-TXTHVTMNSA-N. The full InChI is InChI=1S/C15H18FNO3S/c16-14-6-5-12-10-17(11-13(12)9-14)21(18,19)8-2-4-15-3-1-7-20-15/h2,4-6,9,15H,1,3,7-8,10-11H2/b4-2+/t15-/m1/s1.
What are the key properties of 5-fluoro-2-[(E)-3-[(2R)-oxolan-2-yl]prop-2-enyl]sulfonyl-1,3-dihydroisoindole?
5-fluoro-2-[(E)-3-[(2R)-oxolan-2-yl]prop-2-enyl]sulfonyl-1,3-dihydroisoindole has a molecular weight of 311.38 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(E)-3-[(2R)-oxolan-2-yl]prop-2-enyl]sulfonyl-1,3-dihydroisoindole is sourced from PubChem (CID 143448060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).