5,8-dioxo-6-[(4-piperazin-1-yl-3-pyridinyl)imino]naphthalene-1-sulfonamide

C19H19N5O4S — CID 123141368

IUPAC5,8-dioxo-6-[(4-piperazin-1-yl-3-pyridinyl)imino]naphthalene-1-sulfonamide
SMILESNS(=O)(=O)c1cccc2c1C(=O)C/C(=N\c1cnccc1N1CCNCC1)C2=O
InChIInChI=1S/C19H19N5O4S/c20-29(27,28)17-3-1-2-12-18(17)16(25)10-13(19(12)26)23-14-11-22-5-4-15(14)24-8-6-21-7-9-24/h1-5,11,21H,6-10H2,(H2,20,27,28)/b23-13+
InChIKeyNVBOILCXCARQMF-YDZHTSKRSA-N
MW413.46 g/mol
LogP0.68
Rot. Bonds3

About 5,8-dioxo-6-[(4-piperazin-1-yl-3-pyridinyl)imino]naphthalene-1-sulfonamide

5,8-dioxo-6-[(4-piperazin-1-yl-3-pyridinyl)imino]naphthalene-1-sulfonamide (PubChem CID 123141368) has the molecular formula C19H19N5O4S and a molecular weight of 413.46 g/mol. Its IUPAC name is 5,8-dioxo-6-[(4-piperazin-1-yl-3-pyridinyl)imino]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5,8-dioxo-6-[(4-piperazin-1-yl-3-pyridinyl)imino]naphthalene-1-sulfonamide
PubChem CID123141368
Molecular FormulaC19H19N5O4S
Molecular Weight413.46 g/mol
Exact Mass413.12
IUPAC Name5,8-dioxo-6-[(4-piperazin-1-yl-3-pyridinyl)imino]naphthalene-1-sulfonamide
SMILESNS(=O)(=O)c1cccc2c1C(=O)C/C(=N\c1cnccc1N1CCNCC1)C2=O
InChIInChI=1S/C19H19N5O4S/c20-29(27,28)17-3-1-2-12-18(17)16(25)10-13(19(12)26)23-14-11-22-5-4-15(14)24-8-6-21-7-9-24/h1-5,11,21H,6-10H2,(H2,20,27,28)/b23-13+
InChIKeyNVBOILCXCARQMF-YDZHTSKRSA-N
XLogP0.68
TPSA134.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'keto_keto_gamma(5)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5,8-dioxo-6-[(4-piperazin-1-yl-3-pyridinyl)imino]naphthalene-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,8-dioxo-6-[(4-piperazin-1-yl-3-pyridinyl)imino]naphthalene-1-sulfonamide?
The IUPAC name of 5,8-dioxo-6-[(4-piperazin-1-yl-3-pyridinyl)imino]naphthalene-1-sulfonamide (CID 123141368) is 5,8-dioxo-6-[(4-piperazin-1-yl-3-pyridinyl)imino]naphthalene-1-sulfonamide.
What is the SMILES notation for 5,8-dioxo-6-[(4-piperazin-1-yl-3-pyridinyl)imino]naphthalene-1-sulfonamide?
The canonical SMILES for 5,8-dioxo-6-[(4-piperazin-1-yl-3-pyridinyl)imino]naphthalene-1-sulfonamide is NS(=O)(=O)c1cccc2c1C(=O)C/C(=N\c1cnccc1N1CCNCC1)C2=O.
What is the InChIKey of 5,8-dioxo-6-[(4-piperazin-1-yl-3-pyridinyl)imino]naphthalene-1-sulfonamide?
The InChIKey is NVBOILCXCARQMF-YDZHTSKRSA-N. The full InChI is InChI=1S/C19H19N5O4S/c20-29(27,28)17-3-1-2-12-18(17)16(25)10-13(19(12)26)23-14-11-22-5-4-15(14)24-8-6-21-7-9-24/h1-5,11,21H,6-10H2,(H2,20,27,28)/b23-13+.
What are the key properties of 5,8-dioxo-6-[(4-piperazin-1-yl-3-pyridinyl)imino]naphthalene-1-sulfonamide?
5,8-dioxo-6-[(4-piperazin-1-yl-3-pyridinyl)imino]naphthalene-1-sulfonamide has a molecular weight of 413.46 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dioxo-6-[(4-piperazin-1-yl-3-pyridinyl)imino]naphthalene-1-sulfonamide is sourced from PubChem (CID 123141368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).