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

C12H16N2O4S — CID 154771448

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCCC1c1ccc2c(c1)OCCO2
InChIInChI=1S/C12H16N2O4S/c13-19(15,16)14-5-1-2-10(14)9-3-4-11-12(8-9)18-7-6-17-11/h3-4,8,10H,1-2,5-7H2,(H2,13,15,16)
InChIKeySLCUVGAPHAAZDS-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.80
Rot. Bonds2

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

2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-sulfonamide (PubChem CID 154771448) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-sulfonamide
PubChem CID154771448
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCCC1c1ccc2c(c1)OCCO2
InChIInChI=1S/C12H16N2O4S/c13-19(15,16)14-5-1-2-10(14)9-3-4-11-12(8-9)18-7-6-17-11/h3-4,8,10H,1-2,5-7H2,(H2,13,15,16)
InChIKeySLCUVGAPHAAZDS-UHFFFAOYSA-N
XLogP0.80
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidine
CID 31534540
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-fluorophenyl)sulfonylpyrrolidine
CID 51169907
4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]sulfonyl-2,6-dimethylmorpholine
CID 46511252
1-(2,5-difluorophenyl)sulfonyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
CID 78797686
2-(3,4-dichlorophenyl)pyrrolidine-1-sulfonamide
CID 71889820
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine
CID 55353950
(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-(3,4-difluorophenyl)sulfonyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine
CID 17499394
1-[4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 40987447
6-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]pyridin-1-ium-3-sulfonamide
CID 9116376

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-sulfonamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-sulfonamide (CID 154771448) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-sulfonamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-sulfonamide is NS(=O)(=O)N1CCCC1c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-sulfonamide?
The InChIKey is SLCUVGAPHAAZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c13-19(15,16)14-5-1-2-10(14)9-3-4-11-12(8-9)18-7-6-17-11/h3-4,8,10H,1-2,5-7H2,(H2,13,15,16).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-sulfonamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-sulfonamide has a molecular weight of 284.34 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 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)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 154771448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).