1'-(2-morpholin-4-ylsulfonylphenyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one

C20H20N2O6S — CID 68654087

IUPAC1'-(2-morpholin-4-ylsulfonylphenyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESO=C1N(c2ccccc2S(=O)(=O)N2CCOCC2)c2ccccc2C12OCCO2
InChIInChI=1S/C20H20N2O6S/c23-19-20(27-13-14-28-20)15-5-1-2-6-16(15)22(19)17-7-3-4-8-18(17)29(24,25)21-9-11-26-12-10-21/h1-8H,9-14H2
InChIKeyUBCBIMIZCZUTQA-UHFFFAOYSA-N
MW416.46 g/mol
LogP1.59
Rot. Bonds3

About 1'-(2-morpholin-4-ylsulfonylphenyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one

1'-(2-morpholin-4-ylsulfonylphenyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 68654087) has the molecular formula C20H20N2O6S and a molecular weight of 416.46 g/mol. Its IUPAC name is 1'-(2-morpholin-4-ylsulfonylphenyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-(2-morpholin-4-ylsulfonylphenyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID68654087
Molecular FormulaC20H20N2O6S
Molecular Weight416.46 g/mol
Exact Mass416.10
IUPAC Name1'-(2-morpholin-4-ylsulfonylphenyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESO=C1N(c2ccccc2S(=O)(=O)N2CCOCC2)c2ccccc2C12OCCO2
InChIInChI=1S/C20H20N2O6S/c23-19-20(27-13-14-28-20)15-5-1-2-6-16(15)22(19)17-7-3-4-8-18(17)29(24,25)21-9-11-26-12-10-21/h1-8H,9-14H2
InChIKeyUBCBIMIZCZUTQA-UHFFFAOYSA-N
XLogP1.59
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-(2-morpholin-4-ylsulfonylphenyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 1'-(2-morpholin-4-ylsulfonylphenyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 68654087) is 1'-(2-morpholin-4-ylsulfonylphenyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-(2-morpholin-4-ylsulfonylphenyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-(2-morpholin-4-ylsulfonylphenyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one is O=C1N(c2ccccc2S(=O)(=O)N2CCOCC2)c2ccccc2C12OCCO2.
What is the InChIKey of 1'-(2-morpholin-4-ylsulfonylphenyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is UBCBIMIZCZUTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6S/c23-19-20(27-13-14-28-20)15-5-1-2-6-16(15)22(19)17-7-3-4-8-18(17)29(24,25)21-9-11-26-12-10-21/h1-8H,9-14H2.
What are the key properties of 1'-(2-morpholin-4-ylsulfonylphenyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
1'-(2-morpholin-4-ylsulfonylphenyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 416.46 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-morpholin-4-ylsulfonylphenyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 68654087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).