5-naphthalen-2-ylsulfonylpyrrolidine-2,4-dione

C14H11NO4S — CID 150571024

IUPAC5-naphthalen-2-ylsulfonylpyrrolidine-2,4-dione
SMILESO=C1CC(=O)C(S(=O)(=O)c2ccc3ccccc3c2)N1
InChIInChI=1S/C14H11NO4S/c16-12-8-13(17)15-14(12)20(18,19)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,14H,8H2,(H,15,17)
InChIKeyILVQKEXKPUNGMV-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.03
Rot. Bonds2

About 5-naphthalen-2-ylsulfonylpyrrolidine-2,4-dione

5-naphthalen-2-ylsulfonylpyrrolidine-2,4-dione (PubChem CID 150571024) has the molecular formula C14H11NO4S and a molecular weight of 289.31 g/mol. Its IUPAC name is 5-naphthalen-2-ylsulfonylpyrrolidine-2,4-dione.

Molecular Properties

Compound Name5-naphthalen-2-ylsulfonylpyrrolidine-2,4-dione
PubChem CID150571024
Molecular FormulaC14H11NO4S
Molecular Weight289.31 g/mol
Exact Mass289.04
IUPAC Name5-naphthalen-2-ylsulfonylpyrrolidine-2,4-dione
SMILESO=C1CC(=O)C(S(=O)(=O)c2ccc3ccccc3c2)N1
InChIInChI=1S/C14H11NO4S/c16-12-8-13(17)15-14(12)20(18,19)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,14H,8H2,(H,15,17)
InChIKeyILVQKEXKPUNGMV-UHFFFAOYSA-N
XLogP1.03
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-naphthalen-2-ylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 2335224
N-ethyl-3-(2-naphthylsulfonyl)propanamide
CID 1819930
5-(Naphthalen-2-ylsulfonylmethyl)-1,3-thiazolidine-2,4-dione
CID 44280083
2-Naphthyl 3-oxo-3-(1-pyrrolidinyl)propyl sulfone
CID 851318
4-Naphthalen-2-ylsulfonylazetidin-2-one
CID 189602
N-(1,1-dioxothiolan-3-yl)-2-naphthalen-2-ylsulfanylacetamide
CID 17460247
4-Naphthalen-2-ylsulfinyl-1,3-thiazolidine-2,5-dione
CID 18945506
4-Naphthalen-2-ylsulfonyl-1,3-thiazolidine-2,5-dione
CID 21866335
4-Naphthalen-1-ylsulfonyl-1,3-thiazolidine-2,5-dione
CID 22678066
3-[(6-Prop-2-enyl-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonyl]pyrrolidin-2-one
CID 56974453
3-(6-Prop-2-enylnaphthalen-2-yl)sulfonylpyrrolidin-2-one
CID 57066479
3-(6-Ethylnaphthalen-2-yl)sulfonylpyrrolidin-2-one
CID 57280051

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-ylsulfonylpyrrolidine-2,4-dione?
The IUPAC name of 5-naphthalen-2-ylsulfonylpyrrolidine-2,4-dione (CID 150571024) is 5-naphthalen-2-ylsulfonylpyrrolidine-2,4-dione.
What is the SMILES notation for 5-naphthalen-2-ylsulfonylpyrrolidine-2,4-dione?
The canonical SMILES for 5-naphthalen-2-ylsulfonylpyrrolidine-2,4-dione is O=C1CC(=O)C(S(=O)(=O)c2ccc3ccccc3c2)N1.
What is the InChIKey of 5-naphthalen-2-ylsulfonylpyrrolidine-2,4-dione?
The InChIKey is ILVQKEXKPUNGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4S/c16-12-8-13(17)15-14(12)20(18,19)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,14H,8H2,(H,15,17).
What are the key properties of 5-naphthalen-2-ylsulfonylpyrrolidine-2,4-dione?
5-naphthalen-2-ylsulfonylpyrrolidine-2,4-dione has a molecular weight of 289.31 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-ylsulfonylpyrrolidine-2,4-dione is sourced from PubChem (CID 150571024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).