N,N-diethyl-6-oxo-5H-phenanthridine-2-sulfonamide

C17H18N2O3S — CID 6324455

IUPACN,N-diethyl-6-oxo-5H-phenanthridine-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)c3ccccc3c2c1
InChIInChI=1S/C17H18N2O3S/c1-3-19(4-2)23(21,22)12-9-10-16-15(11-12)13-7-5-6-8-14(13)17(20)18-16/h5-11H,3-4H2,1-2H3,(H,18,20)
InChIKeyOAWPNARGEFTVKV-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.71
Rot. Bonds4

About N,N-diethyl-6-oxo-5H-phenanthridine-2-sulfonamide

N,N-diethyl-6-oxo-5H-phenanthridine-2-sulfonamide (PubChem CID 6324455) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N,N-diethyl-6-oxo-5H-phenanthridine-2-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-6-oxo-5H-phenanthridine-2-sulfonamide
PubChem CID6324455
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN,N-diethyl-6-oxo-5H-phenanthridine-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)c3ccccc3c2c1
InChIInChI=1S/C17H18N2O3S/c1-3-19(4-2)23(21,22)12-9-10-16-15(11-12)13-7-5-6-8-14(13)17(20)18-16/h5-11H,3-4H2,1-2H3,(H,18,20)
InChIKeyOAWPNARGEFTVKV-UHFFFAOYSA-N
XLogP2.71
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-diethyl-6-oxo-5H-phenanthridine-2-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 N,N-diethyl-6-oxo-5H-phenanthridine-2-sulfonamide?
The IUPAC name of N,N-diethyl-6-oxo-5H-phenanthridine-2-sulfonamide (CID 6324455) is N,N-diethyl-6-oxo-5H-phenanthridine-2-sulfonamide.
What is the SMILES notation for N,N-diethyl-6-oxo-5H-phenanthridine-2-sulfonamide?
The canonical SMILES for N,N-diethyl-6-oxo-5H-phenanthridine-2-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)c3ccccc3c2c1.
What is the InChIKey of N,N-diethyl-6-oxo-5H-phenanthridine-2-sulfonamide?
The InChIKey is OAWPNARGEFTVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-3-19(4-2)23(21,22)12-9-10-16-15(11-12)13-7-5-6-8-14(13)17(20)18-16/h5-11H,3-4H2,1-2H3,(H,18,20).
What are the key properties of N,N-diethyl-6-oxo-5H-phenanthridine-2-sulfonamide?
N,N-diethyl-6-oxo-5H-phenanthridine-2-sulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-oxo-5H-phenanthridine-2-sulfonamide is sourced from PubChem (CID 6324455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).