2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-fluorophenyl)sulfonylpyrrolidine

C18H18FNO4S — CID 51169907

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-fluorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccccc1F)N1CCCC1c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H18FNO4S/c19-14-4-1-2-6-18(14)25(21,22)20-9-3-5-15(20)13-7-8-16-17(12-13)24-11-10-23-16/h1-2,4,6-8,12,15H,3,5,9-11H2
InChIKeyRRNMSWGURHHCMW-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.12
Rot. Bonds3

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-fluorophenyl)sulfonylpyrrolidine

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-fluorophenyl)sulfonylpyrrolidine (PubChem CID 51169907) has the molecular formula C18H18FNO4S and a molecular weight of 363.41 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-fluorophenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-fluorophenyl)sulfonylpyrrolidine
PubChem CID51169907
Molecular FormulaC18H18FNO4S
Molecular Weight363.41 g/mol
Exact Mass363.09
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-fluorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccccc1F)N1CCCC1c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H18FNO4S/c19-14-4-1-2-6-18(14)25(21,22)20-9-3-5-15(20)13-7-8-16-17(12-13)24-11-10-23-16/h1-2,4,6-8,12,15H,3,5,9-11H2
InChIKeyRRNMSWGURHHCMW-UHFFFAOYSA-N
XLogP3.12
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-difluorophenyl)sulfonyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
CID 78797686
1-(2,6-difluorophenyl)sulfonyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
CID 51169909
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine
CID 55353950
1-(3,4-difluorophenyl)sulfonyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine
CID 17499394
2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-sulfonamide
CID 154771448
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidine
CID 31534540
2-(1,3-benzodioxol-5-yl)-1-(3-fluorophenyl)sulfonylpyrrolidine
CID 126778989
(2R)-2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine
CID 35391559
(2S)-1-(2-fluorophenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 95079257
(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(3,4-dimethylphenyl)sulfonylpyrrolidine
CID 40752604
1-(2-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)azepane
CID 53096243
3-ethyl-5-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 92894196

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-fluorophenyl)sulfonylpyrrolidine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-fluorophenyl)sulfonylpyrrolidine (CID 51169907) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-fluorophenyl)sulfonylpyrrolidine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-fluorophenyl)sulfonylpyrrolidine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-fluorophenyl)sulfonylpyrrolidine is O=S(=O)(c1ccccc1F)N1CCCC1c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-fluorophenyl)sulfonylpyrrolidine?
The InChIKey is RRNMSWGURHHCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4S/c19-14-4-1-2-6-18(14)25(21,22)20-9-3-5-15(20)13-7-8-16-17(12-13)24-11-10-23-16/h1-2,4,6-8,12,15H,3,5,9-11H2.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-fluorophenyl)sulfonylpyrrolidine?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-fluorophenyl)sulfonylpyrrolidine has a molecular weight of 363.41 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-fluorophenyl)sulfonylpyrrolidine is sourced from PubChem (CID 51169907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).