5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-propan-2-ylsulfonyl-2,3-dihydroindole

C19H21NO6S2 — CID 56968947

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-propan-2-ylsulfonyl-2,3-dihydroindole
SMILESCC(C)S(=O)(=O)N1CCc2cc(S(=O)(=O)c3ccc4c(c3)OCCO4)ccc21
InChIInChI=1S/C19H21NO6S2/c1-13(2)28(23,24)20-8-7-14-11-15(3-5-17(14)20)27(21,22)16-4-6-18-19(12-16)26-10-9-25-18/h3-6,11-13H,7-10H2,1-2H3
InChIKeyDWWCYSPHZCMIBB-UHFFFAOYSA-N
MW423.51 g/mol
LogP2.39
Rot. Bonds4

About 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-propan-2-ylsulfonyl-2,3-dihydroindole

5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-propan-2-ylsulfonyl-2,3-dihydroindole (PubChem CID 56968947) has the molecular formula C19H21NO6S2 and a molecular weight of 423.51 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-propan-2-ylsulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-propan-2-ylsulfonyl-2,3-dihydroindole
PubChem CID56968947
Molecular FormulaC19H21NO6S2
Molecular Weight423.51 g/mol
Exact Mass423.08
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-propan-2-ylsulfonyl-2,3-dihydroindole
SMILESCC(C)S(=O)(=O)N1CCc2cc(S(=O)(=O)c3ccc4c(c3)OCCO4)ccc21
InChIInChI=1S/C19H21NO6S2/c1-13(2)28(23,24)20-8-7-14-11-15(3-5-17(14)20)27(21,22)16-4-6-18-19(12-16)26-10-9-25-18/h3-6,11-13H,7-10H2,1-2H3
InChIKeyDWWCYSPHZCMIBB-UHFFFAOYSA-N
XLogP2.39
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-propan-2-ylsulfonyl-2,3-dihydroindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole
CID 56969398
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxy-2,3-dihydroindole
CID 56800307
2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methylsulfonyl-2,3-dihydroindole;2,3-dihydro-1H-indene;methanesulfonyl chloride;bis(1-methylsulfonyl-2,3-dihydroindole);trichloroalumane
CID 160585756
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2,3-dihydroindole
CID 46807431
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)prop-2-en-1-one
CID 89239024
N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2470338
1-(cyclopropanecarbonyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 133231165
1-(1,3-benzodioxol-5-ylsulfonyl)-6-methyl-3,4-dihydro-2H-quinoline
CID 110714208
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methylbutan-2-amine
CID 64644677
1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]ethanamine
CID 119974869
1-(3-methylbutylsulfonyl)-2,3-dihydroindole-5-sulfonamide
CID 52882056
2-(benzenesulfonyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3-dihydroisoindole
CID 56969169

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-propan-2-ylsulfonyl-2,3-dihydroindole?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-propan-2-ylsulfonyl-2,3-dihydroindole (CID 56968947) is 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-propan-2-ylsulfonyl-2,3-dihydroindole.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-propan-2-ylsulfonyl-2,3-dihydroindole?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-propan-2-ylsulfonyl-2,3-dihydroindole is CC(C)S(=O)(=O)N1CCc2cc(S(=O)(=O)c3ccc4c(c3)OCCO4)ccc21.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-propan-2-ylsulfonyl-2,3-dihydroindole?
The InChIKey is DWWCYSPHZCMIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6S2/c1-13(2)28(23,24)20-8-7-14-11-15(3-5-17(14)20)27(21,22)16-4-6-18-19(12-16)26-10-9-25-18/h3-6,11-13H,7-10H2,1-2H3.
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-propan-2-ylsulfonyl-2,3-dihydroindole?
5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-propan-2-ylsulfonyl-2,3-dihydroindole has a molecular weight of 423.51 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-propan-2-ylsulfonyl-2,3-dihydroindole is sourced from PubChem (CID 56968947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).