5'-(benzenesulfonyl)spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one

C16H13NO5S — CID 67532672

IUPAC5'-(benzenesulfonyl)spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one
SMILESO=C1Nc2ccc(S(=O)(=O)c3ccccc3)cc2C12OCCO2
InChIInChI=1S/C16H13NO5S/c18-15-16(21-8-9-22-16)13-10-12(6-7-14(13)17-15)23(19,20)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,17,18)
InChIKeyLPEFJLNLVKTIEC-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.67
Rot. Bonds2

About 5'-(benzenesulfonyl)spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one

5'-(benzenesulfonyl)spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one (PubChem CID 67532672) has the molecular formula C16H13NO5S and a molecular weight of 331.35 g/mol. Its IUPAC name is 5'-(benzenesulfonyl)spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one.

Molecular Properties

Compound Name5'-(benzenesulfonyl)spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one
PubChem CID67532672
Molecular FormulaC16H13NO5S
Molecular Weight331.35 g/mol
Exact Mass331.05
IUPAC Name5'-(benzenesulfonyl)spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one
SMILESO=C1Nc2ccc(S(=O)(=O)c3ccccc3)cc2C12OCCO2
InChIInChI=1S/C16H13NO5S/c18-15-16(21-8-9-22-16)13-10-12(6-7-14(13)17-15)23(19,20)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,17,18)
InChIKeyLPEFJLNLVKTIEC-UHFFFAOYSA-N
XLogP1.67
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5'-(benzenesulfonyl)spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one?
The IUPAC name of 5'-(benzenesulfonyl)spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one (CID 67532672) is 5'-(benzenesulfonyl)spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one.
What is the SMILES notation for 5'-(benzenesulfonyl)spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one?
The canonical SMILES for 5'-(benzenesulfonyl)spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one is O=C1Nc2ccc(S(=O)(=O)c3ccccc3)cc2C12OCCO2.
What is the InChIKey of 5'-(benzenesulfonyl)spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one?
The InChIKey is LPEFJLNLVKTIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO5S/c18-15-16(21-8-9-22-16)13-10-12(6-7-14(13)17-15)23(19,20)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,17,18).
What are the key properties of 5'-(benzenesulfonyl)spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one?
5'-(benzenesulfonyl)spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one has a molecular weight of 331.35 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-(benzenesulfonyl)spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one is sourced from PubChem (CID 67532672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).