1'-naphthalen-2-ylsulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one

C22H19NO4S — CID 90586030

IUPAC1'-naphthalen-2-ylsulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESO=C1CC2(CCN(S(=O)(=O)c3ccc4ccccc4c3)C2)Oc2ccccc21
InChIInChI=1S/C22H19NO4S/c24-20-14-22(27-21-8-4-3-7-19(20)21)11-12-23(15-22)28(25,26)18-10-9-16-5-1-2-6-17(16)13-18/h1-10,13H,11-12,14-15H2
InChIKeyLXHSMADADZIWSX-UHFFFAOYSA-N
MW393.46 g/mol
LogP3.64
Rot. Bonds2

About 1'-naphthalen-2-ylsulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one

1'-naphthalen-2-ylsulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one (PubChem CID 90586030) has the molecular formula C22H19NO4S and a molecular weight of 393.46 g/mol. Its IUPAC name is 1'-naphthalen-2-ylsulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one.

Molecular Properties

Compound Name1'-naphthalen-2-ylsulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
PubChem CID90586030
Molecular FormulaC22H19NO4S
Molecular Weight393.46 g/mol
Exact Mass393.10
IUPAC Name1'-naphthalen-2-ylsulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESO=C1CC2(CCN(S(=O)(=O)c3ccc4ccccc4c3)C2)Oc2ccccc21
InChIInChI=1S/C22H19NO4S/c24-20-14-22(27-21-8-4-3-7-19(20)21)11-12-23(15-22)28(25,26)18-10-9-16-5-1-2-6-17(16)13-18/h1-10,13H,11-12,14-15H2
InChIKeyLXHSMADADZIWSX-UHFFFAOYSA-N
XLogP3.64
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-naphthalen-2-ylsulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The IUPAC name of 1'-naphthalen-2-ylsulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one (CID 90586030) is 1'-naphthalen-2-ylsulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one.
What is the SMILES notation for 1'-naphthalen-2-ylsulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The canonical SMILES for 1'-naphthalen-2-ylsulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one is O=C1CC2(CCN(S(=O)(=O)c3ccc4ccccc4c3)C2)Oc2ccccc21.
What is the InChIKey of 1'-naphthalen-2-ylsulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The InChIKey is LXHSMADADZIWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4S/c24-20-14-22(27-21-8-4-3-7-19(20)21)11-12-23(15-22)28(25,26)18-10-9-16-5-1-2-6-17(16)13-18/h1-10,13H,11-12,14-15H2.
What are the key properties of 1'-naphthalen-2-ylsulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
1'-naphthalen-2-ylsulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one has a molecular weight of 393.46 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-naphthalen-2-ylsulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one is sourced from PubChem (CID 90586030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).