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

C21H19ClN2O4S — CID 3422200

IUPAC4-chloro-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)benzenesulfonamide
SMILESO=C1C(NS(=O)(=O)c2ccc(Cl)cc2)=C(N2CCCCC2)C(=O)c2ccccc21
InChIInChI=1S/C21H19ClN2O4S/c22-14-8-10-15(11-9-14)29(27,28)23-18-19(24-12-4-1-5-13-24)21(26)17-7-3-2-6-16(17)20(18)25/h2-3,6-11,23H,1,4-5,12-13H2
InChIKeyFAMXMLGWWRDVLL-UHFFFAOYSA-N
MW430.91 g/mol
LogP3.39
Rot. Bonds4

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

4-chloro-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)benzenesulfonamide (PubChem CID 3422200) has the molecular formula C21H19ClN2O4S and a molecular weight of 430.91 g/mol. Its IUPAC name is 4-chloro-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)benzenesulfonamide
PubChem CID3422200
Molecular FormulaC21H19ClN2O4S
Molecular Weight430.91 g/mol
Exact Mass430.08
IUPAC Name4-chloro-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)benzenesulfonamide
SMILESO=C1C(NS(=O)(=O)c2ccc(Cl)cc2)=C(N2CCCCC2)C(=O)c2ccccc21
InChIInChI=1S/C21H19ClN2O4S/c22-14-8-10-15(11-9-14)29(27,28)23-18-19(24-12-4-1-5-13-24)21(26)17-7-3-2-6-16(17)20(18)25/h2-3,6-11,23H,1,4-5,12-13H2
InChIKeyFAMXMLGWWRDVLL-UHFFFAOYSA-N
XLogP3.39
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.91
LogP ≤ 53.39
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 4-chloro-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)benzenesulfonamide (CID 3422200) is 4-chloro-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)benzenesulfonamide is O=C1C(NS(=O)(=O)c2ccc(Cl)cc2)=C(N2CCCCC2)C(=O)c2ccccc21.
What is the InChIKey of 4-chloro-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)benzenesulfonamide?
The InChIKey is FAMXMLGWWRDVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O4S/c22-14-8-10-15(11-9-14)29(27,28)23-18-19(24-12-4-1-5-13-24)21(26)17-7-3-2-6-16(17)20(18)25/h2-3,6-11,23H,1,4-5,12-13H2.
What are the key properties of 4-chloro-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)benzenesulfonamide?
4-chloro-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)benzenesulfonamide has a molecular weight of 430.91 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)benzenesulfonamide is sourced from PubChem (CID 3422200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).