1'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one

C20H20N2O6S — CID 53177086

IUPAC1'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)C1(CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C1)C(=O)N2
InChIInChI=1S/C20H20N2O6S/c1-26-13-2-4-16-15(10-13)20(19(23)21-16)6-7-22(12-20)29(24,25)14-3-5-17-18(11-14)28-9-8-27-17/h2-5,10-11H,6-9,12H2,1H3,(H,21,23)
InChIKeyIAPGKQCIQVQPMB-UHFFFAOYSA-N
MW416.46 g/mol
LogP1.75
Rot. Bonds3

About 1'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one

1'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 53177086) has the molecular formula C20H20N2O6S and a molecular weight of 416.46 g/mol. Its IUPAC name is 1'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID53177086
Molecular FormulaC20H20N2O6S
Molecular Weight416.46 g/mol
Exact Mass416.10
IUPAC Name1'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)C1(CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C1)C(=O)N2
InChIInChI=1S/C20H20N2O6S/c1-26-13-2-4-16-15(10-13)20(19(23)21-16)6-7-22(12-20)29(24,25)14-3-5-17-18(11-14)28-9-8-27-17/h2-5,10-11H,6-9,12H2,1H3,(H,21,23)
InChIKeyIAPGKQCIQVQPMB-UHFFFAOYSA-N
XLogP1.75
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-3-carboxamide
CID 46891006
(3aS,9bS)-2-(1,3-benzodioxol-5-ylsulfonyl)-8-hydroxy-5-methyl-1,3,3a,9b-tetrahydropyrrolo[3,4-c]quinolin-4-one
CID 137646009
1'-(3-Fluorobenzenesulfonyl)-5-methoxy-1-methyl-1,2-dihydrospiro[indole-3,3'-pyrrolidin]-2-one
CID 53177292
N-(1-ethyl-2-oxoindolin-5-yl)-2,3-dihydrobenzo[b][1,4]dioxine-6-sulfonamide
CID 41342437
(2'R,3R)-2'-(2,3-dihydro-1,4-benzodioxin-6-yl)spiro[indoline-3,3'-pyrrolidine]-2-one
CID 52905307
1'-(4-Fluorobenzenesulfonyl)-5-methoxy-1,2-dihydrospiro[indole-3,3'-pyrrolidin]-2-one
CID 53177066
1'-[(4-fluoro-3-methylphenyl)sulfonyl]-5-methoxyspiro[indole-3,3'-pyrrolidin]-2(1H)-one
CID 53177073
1'-(3-Fluorobenzenesulfonyl)-5-methoxy-1,2-dihydrospiro[indole-3,3'-pyrrolidin]-2-one
CID 53177078
1'-(2-Fluorobenzenesulfonyl)-5-methoxy-1,2-dihydrospiro[indole-3,3'-pyrrolidin]-2-one
CID 53177080
1'-(3,4-Difluorobenzenesulfonyl)-5-methoxy-1,2-dihydrospiro[indole-3,3'-pyrrolidin]-2-one
CID 53177081
1'-[(3,5-difluorophenyl)sulfonyl]-5-methoxyspiro[indole-3,3'-pyrrolidin]-2(1{H})-one
CID 53177084
1'-[(2,4-difluorophenyl)sulfonyl]-5-methoxyspiro[indole-3,3'-pyrrolidin]-2(1H)-one
CID 53177085

Frequently Asked Questions

What is the IUPAC name of 1'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 53177086) is 1'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one is COc1ccc2c(c1)C1(CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C1)C(=O)N2.
What is the InChIKey of 1'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is IAPGKQCIQVQPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6S/c1-26-13-2-4-16-15(10-13)20(19(23)21-16)6-7-22(12-20)29(24,25)14-3-5-17-18(11-14)28-9-8-27-17/h2-5,10-11H,6-9,12H2,1H3,(H,21,23).
What are the key properties of 1'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one?
1'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 416.46 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 53177086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).