2-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide

C20H16N2O4S — CID 155569554

IUPAC2-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1
InChIInChI=1S/C20H16N2O4S/c1-26-18-8-4-5-9-19(18)27(24,25)22-13-10-11-17-16(12-13)14-6-2-3-7-15(14)20(23)21-17/h2-12,22H,1H3,(H,21,23)
InChIKeyJNAFOKWUGWLVKP-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.49
Rot. Bonds4

About 2-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide

2-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide (PubChem CID 155569554) has the molecular formula C20H16N2O4S and a molecular weight of 380.43 g/mol. Its IUPAC name is 2-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide
PubChem CID155569554
Molecular FormulaC20H16N2O4S
Molecular Weight380.43 g/mol
Exact Mass380.08
IUPAC Name2-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1
InChIInChI=1S/C20H16N2O4S/c1-26-18-8-4-5-9-19(18)27(24,25)22-13-10-11-17-16(12-13)14-6-2-3-7-15(14)20(23)21-17/h2-12,22H,1H3,(H,21,23)
InChIKeyJNAFOKWUGWLVKP-UHFFFAOYSA-N
XLogP3.49
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.49
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 2-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide?
The IUPAC name of 2-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide (CID 155569554) is 2-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1.
What is the InChIKey of 2-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide?
The InChIKey is JNAFOKWUGWLVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4S/c1-26-18-8-4-5-9-19(18)27(24,25)22-13-10-11-17-16(12-13)14-6-2-3-7-15(14)20(23)21-17/h2-12,22H,1H3,(H,21,23).
What are the key properties of 2-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide?
2-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide has a molecular weight of 380.43 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide is sourced from PubChem (CID 155569554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).