4-bromo-N-(6-oxo-5H-benzo[c][1,8]naphthyridin-9-yl)benzenesulfonamide

C18H12BrN3O3S — CID 58168306

IUPAC4-bromo-N-(6-oxo-5H-benzo[c][1,8]naphthyridin-9-yl)benzenesulfonamide
SMILESO=c1[nH]c2ncccc2c2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc12
InChIInChI=1S/C18H12BrN3O3S/c19-11-3-6-13(7-4-11)26(24,25)22-12-5-8-15-16(10-12)14-2-1-9-20-17(14)21-18(15)23/h1-10,22H,(H,20,21,23)
InChIKeyWYVSACKJYJQKLS-UHFFFAOYSA-N
MW430.28 g/mol
LogP3.64
Rot. Bonds3

About 4-bromo-N-(6-oxo-5H-benzo[c][1,8]naphthyridin-9-yl)benzenesulfonamide

4-bromo-N-(6-oxo-5H-benzo[c][1,8]naphthyridin-9-yl)benzenesulfonamide (PubChem CID 58168306) has the molecular formula C18H12BrN3O3S and a molecular weight of 430.28 g/mol. Its IUPAC name is 4-bromo-N-(6-oxo-5H-benzo[c][1,8]naphthyridin-9-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(6-oxo-5H-benzo[c][1,8]naphthyridin-9-yl)benzenesulfonamide
PubChem CID58168306
Molecular FormulaC18H12BrN3O3S
Molecular Weight430.28 g/mol
Exact Mass428.98
IUPAC Name4-bromo-N-(6-oxo-5H-benzo[c][1,8]naphthyridin-9-yl)benzenesulfonamide
SMILESO=c1[nH]c2ncccc2c2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc12
InChIInChI=1S/C18H12BrN3O3S/c19-11-3-6-13(7-4-11)26(24,25)22-12-5-8-15-16(10-12)14-2-1-9-20-17(14)21-18(15)23/h1-10,22H,(H,20,21,23)
InChIKeyWYVSACKJYJQKLS-UHFFFAOYSA-N
XLogP3.64
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.28
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(6-oxo-5H-benzo[c][1,8]naphthyridin-9-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(6-oxo-5H-benzo[c][1,8]naphthyridin-9-yl)benzenesulfonamide (CID 58168306) is 4-bromo-N-(6-oxo-5H-benzo[c][1,8]naphthyridin-9-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(6-oxo-5H-benzo[c][1,8]naphthyridin-9-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(6-oxo-5H-benzo[c][1,8]naphthyridin-9-yl)benzenesulfonamide is O=c1[nH]c2ncccc2c2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc12.
What is the InChIKey of 4-bromo-N-(6-oxo-5H-benzo[c][1,8]naphthyridin-9-yl)benzenesulfonamide?
The InChIKey is WYVSACKJYJQKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN3O3S/c19-11-3-6-13(7-4-11)26(24,25)22-12-5-8-15-16(10-12)14-2-1-9-20-17(14)21-18(15)23/h1-10,22H,(H,20,21,23).
What are the key properties of 4-bromo-N-(6-oxo-5H-benzo[c][1,8]naphthyridin-9-yl)benzenesulfonamide?
4-bromo-N-(6-oxo-5H-benzo[c][1,8]naphthyridin-9-yl)benzenesulfonamide has a molecular weight of 430.28 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(6-oxo-5H-benzo[c][1,8]naphthyridin-9-yl)benzenesulfonamide is sourced from PubChem (CID 58168306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).