2-(2,6-dioxopiperidin-1-yl)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)ethanesulfonamide

C23H22N2O5S2 — CID 58565680

IUPAC2-(2,6-dioxopiperidin-1-yl)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)ethanesulfonamide
SMILESO=C1CCCC(=O)N1CCS(=O)(=O)Nc1cc(Sc2ccccc2)c(O)c2ccccc12
InChIInChI=1S/C23H22N2O5S2/c26-21-11-6-12-22(27)25(21)13-14-32(29,30)24-19-15-20(31-16-7-2-1-3-8-16)23(28)18-10-5-4-9-17(18)19/h1-5,7-10,15,24,28H,6,11-14H2
InChIKeyUPEBXHHSXNBGFU-UHFFFAOYSA-N
MW470.57 g/mol
LogP3.98
Rot. Bonds7

About 2-(2,6-dioxopiperidin-1-yl)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)ethanesulfonamide

2-(2,6-dioxopiperidin-1-yl)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)ethanesulfonamide (PubChem CID 58565680) has the molecular formula C23H22N2O5S2 and a molecular weight of 470.57 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-1-yl)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-1-yl)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)ethanesulfonamide
PubChem CID58565680
Molecular FormulaC23H22N2O5S2
Molecular Weight470.57 g/mol
Exact Mass470.10
IUPAC Name2-(2,6-dioxopiperidin-1-yl)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)ethanesulfonamide
SMILESO=C1CCCC(=O)N1CCS(=O)(=O)Nc1cc(Sc2ccccc2)c(O)c2ccccc12
InChIInChI=1S/C23H22N2O5S2/c26-21-11-6-12-22(27)25(21)13-14-32(29,30)24-19-15-20(31-16-7-2-1-3-8-16)23(28)18-10-5-4-9-17(18)19/h1-5,7-10,15,24,28H,6,11-14H2
InChIKeyUPEBXHHSXNBGFU-UHFFFAOYSA-N
XLogP3.98
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-1-yl)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)ethanesulfonamide?
The IUPAC name of 2-(2,6-dioxopiperidin-1-yl)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)ethanesulfonamide (CID 58565680) is 2-(2,6-dioxopiperidin-1-yl)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)ethanesulfonamide.
What is the SMILES notation for 2-(2,6-dioxopiperidin-1-yl)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)ethanesulfonamide?
The canonical SMILES for 2-(2,6-dioxopiperidin-1-yl)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)ethanesulfonamide is O=C1CCCC(=O)N1CCS(=O)(=O)Nc1cc(Sc2ccccc2)c(O)c2ccccc12.
What is the InChIKey of 2-(2,6-dioxopiperidin-1-yl)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)ethanesulfonamide?
The InChIKey is UPEBXHHSXNBGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5S2/c26-21-11-6-12-22(27)25(21)13-14-32(29,30)24-19-15-20(31-16-7-2-1-3-8-16)23(28)18-10-5-4-9-17(18)19/h1-5,7-10,15,24,28H,6,11-14H2.
What are the key properties of 2-(2,6-dioxopiperidin-1-yl)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)ethanesulfonamide?
2-(2,6-dioxopiperidin-1-yl)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)ethanesulfonamide has a molecular weight of 470.57 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-1-yl)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)ethanesulfonamide is sourced from PubChem (CID 58565680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).