1-(2,6-difluorophenyl)sulfonyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine

C18H17F2NO4S — CID 51169909

IUPAC1-(2,6-difluorophenyl)sulfonyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
SMILESO=S(=O)(c1c(F)cccc1F)N1CCCC1c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H17F2NO4S/c19-13-3-1-4-14(20)18(13)26(22,23)21-8-2-5-15(21)12-6-7-16-17(11-12)25-10-9-24-16/h1,3-4,6-7,11,15H,2,5,8-10H2
InChIKeyWCHWZBMEXSLGSC-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.26
Rot. Bonds3

About 1-(2,6-difluorophenyl)sulfonyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine

1-(2,6-difluorophenyl)sulfonyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine (PubChem CID 51169909) has the molecular formula C18H17F2NO4S and a molecular weight of 381.40 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)sulfonyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)sulfonyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
PubChem CID51169909
Molecular FormulaC18H17F2NO4S
Molecular Weight381.40 g/mol
Exact Mass381.08
IUPAC Name1-(2,6-difluorophenyl)sulfonyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
SMILESO=S(=O)(c1c(F)cccc1F)N1CCCC1c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H17F2NO4S/c19-13-3-1-4-14(20)18(13)26(22,23)21-8-2-5-15(21)12-6-7-16-17(11-12)25-10-9-24-16/h1,3-4,6-7,11,15H,2,5,8-10H2
InChIKeyWCHWZBMEXSLGSC-UHFFFAOYSA-N
XLogP3.26
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-fluorophenyl)sulfonylpyrrolidine
CID 51169907
1-(2,5-difluorophenyl)sulfonyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
CID 78797686
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
2-(1,3-benzodioxol-5-yl)-1-(3-fluorophenyl)sulfonylpyrrolidine
CID 126778989
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine
CID 55353950
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidine
CID 31534540
(2R)-2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine
CID 35391559
(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(3,4-dimethylphenyl)sulfonylpyrrolidine
CID 40752604
1-[4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 40987447
4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]sulfonyl-2,6-dimethylmorpholine
CID 46511252
1-[4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 9171628

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)sulfonyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine?
The IUPAC name of 1-(2,6-difluorophenyl)sulfonyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine (CID 51169909) is 1-(2,6-difluorophenyl)sulfonyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine.
What is the SMILES notation for 1-(2,6-difluorophenyl)sulfonyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine?
The canonical SMILES for 1-(2,6-difluorophenyl)sulfonyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine is O=S(=O)(c1c(F)cccc1F)N1CCCC1c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,6-difluorophenyl)sulfonyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine?
The InChIKey is WCHWZBMEXSLGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO4S/c19-13-3-1-4-14(20)18(13)26(22,23)21-8-2-5-15(21)12-6-7-16-17(11-12)25-10-9-24-16/h1,3-4,6-7,11,15H,2,5,8-10H2.
What are the key properties of 1-(2,6-difluorophenyl)sulfonyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine?
1-(2,6-difluorophenyl)sulfonyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine has a molecular weight of 381.40 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)sulfonyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine is sourced from PubChem (CID 51169909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).