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

C19H14N2O3S — CID 16728036

IUPACN-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide
SMILESO=c1[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc2c2ccccc12
InChIInChI=1S/C19H14N2O3S/c22-19-16-9-5-4-8-15(16)17-12-13(10-11-18(17)20-19)21-25(23,24)14-6-2-1-3-7-14/h1-12,21H,(H,20,22)
InChIKeyWZMUHFVSOAQMFA-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.48
Rot. Bonds3

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

N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide (PubChem CID 16728036) has the molecular formula C19H14N2O3S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide
PubChem CID16728036
Molecular FormulaC19H14N2O3S
Molecular Weight350.40 g/mol
Exact Mass350.07
IUPAC NameN-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide
SMILESO=c1[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc2c2ccccc12
InChIInChI=1S/C19H14N2O3S/c22-19-16-9-5-4-8-15(16)17-12-13(10-11-18(17)20-19)21-25(23,24)14-6-2-1-3-7-14/h1-12,21H,(H,20,22)
InChIKeyWZMUHFVSOAQMFA-UHFFFAOYSA-N
XLogP3.48
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide?
The IUPAC name of N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide (CID 16728036) is N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide?
The canonical SMILES for N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide is O=c1[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc2c2ccccc12.
What is the InChIKey of N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide?
The InChIKey is WZMUHFVSOAQMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3S/c22-19-16-9-5-4-8-15(16)17-12-13(10-11-18(17)20-19)21-25(23,24)14-6-2-1-3-7-14/h1-12,21H,(H,20,22).
What are the key properties of N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide?
N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide has a molecular weight of 350.40 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide is sourced from PubChem (CID 16728036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).