1'-(benzenesulfonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one

C17H15NO5S — CID 67532384

IUPAC1'-(benzenesulfonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESO=C1N(S(=O)(=O)c2ccccc2)c2ccccc2C12OCCCO2
InChIInChI=1S/C17H15NO5S/c19-16-17(22-11-6-12-23-17)14-9-4-5-10-15(14)18(16)24(20,21)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2
InChIKeyPOEKVGIKSKVMSB-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.01
Rot. Bonds2

About 1'-(benzenesulfonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one

1'-(benzenesulfonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 67532384) has the molecular formula C17H15NO5S and a molecular weight of 345.38 g/mol. Its IUPAC name is 1'-(benzenesulfonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-(benzenesulfonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID67532384
Molecular FormulaC17H15NO5S
Molecular Weight345.38 g/mol
Exact Mass345.07
IUPAC Name1'-(benzenesulfonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESO=C1N(S(=O)(=O)c2ccccc2)c2ccccc2C12OCCCO2
InChIInChI=1S/C17H15NO5S/c19-16-17(22-11-6-12-23-17)14-9-4-5-10-15(14)18(16)24(20,21)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2
InChIKeyPOEKVGIKSKVMSB-UHFFFAOYSA-N
XLogP2.01
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-(benzenesulfonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 1'-(benzenesulfonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one (CID 67532384) is 1'-(benzenesulfonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-(benzenesulfonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-(benzenesulfonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one is O=C1N(S(=O)(=O)c2ccccc2)c2ccccc2C12OCCCO2.
What is the InChIKey of 1'-(benzenesulfonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is POEKVGIKSKVMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5S/c19-16-17(22-11-6-12-23-17)14-9-4-5-10-15(14)18(16)24(20,21)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2.
What are the key properties of 1'-(benzenesulfonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
1'-(benzenesulfonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 345.38 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(benzenesulfonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 67532384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).