N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)benzenesulfonamide

C21H20N2O4S — CID 56951836

IUPACN-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)benzenesulfonamide
SMILESO=C1C(NS(=O)(=O)c2ccccc2)=C(N2CCCCC2)C(=O)c2ccccc21
InChIInChI=1S/C21H20N2O4S/c24-20-16-11-5-6-12-17(16)21(25)19(23-13-7-2-8-14-23)18(20)22-28(26,27)15-9-3-1-4-10-15/h1,3-6,9-12,22H,2,7-8,13-14H2
InChIKeyWENVMDMFBJUWOQ-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.74
Rot. Bonds4

About N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)benzenesulfonamide

N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)benzenesulfonamide (PubChem CID 56951836) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)benzenesulfonamide
PubChem CID56951836
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC NameN-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)benzenesulfonamide
SMILESO=C1C(NS(=O)(=O)c2ccccc2)=C(N2CCCCC2)C(=O)c2ccccc21
InChIInChI=1S/C21H20N2O4S/c24-20-16-11-5-6-12-17(16)21(25)19(23-13-7-2-8-14-23)18(20)22-28(26,27)15-9-3-1-4-10-15/h1,3-6,9-12,22H,2,7-8,13-14H2
InChIKeyWENVMDMFBJUWOQ-UHFFFAOYSA-N
XLogP2.74
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)benzenesulfonamide?
The IUPAC name of N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)benzenesulfonamide (CID 56951836) is N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)benzenesulfonamide?
The canonical SMILES for N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)benzenesulfonamide is O=C1C(NS(=O)(=O)c2ccccc2)=C(N2CCCCC2)C(=O)c2ccccc21.
What is the InChIKey of N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)benzenesulfonamide?
The InChIKey is WENVMDMFBJUWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c24-20-16-11-5-6-12-17(16)21(25)19(23-13-7-2-8-14-23)18(20)22-28(26,27)15-9-3-1-4-10-15/h1,3-6,9-12,22H,2,7-8,13-14H2.
What are the key properties of N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)benzenesulfonamide?
N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)benzenesulfonamide has a molecular weight of 396.47 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)benzenesulfonamide is sourced from PubChem (CID 56951836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).