N-(6-oxo-5H-phenanthridin-2-yl)thiophene-2-sulfonamide

C17H12N2O3S2 — CID 155515498

IUPACN-(6-oxo-5H-phenanthridin-2-yl)thiophene-2-sulfonamide
SMILESO=c1[nH]c2ccc(NS(=O)(=O)c3cccs3)cc2c2ccccc12
InChIInChI=1S/C17H12N2O3S2/c20-17-13-5-2-1-4-12(13)14-10-11(7-8-15(14)18-17)19-24(21,22)16-6-3-9-23-16/h1-10,19H,(H,18,20)
InChIKeyNMSGNRLUBXXLHJ-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.54
Rot. Bonds3

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

N-(6-oxo-5H-phenanthridin-2-yl)thiophene-2-sulfonamide (PubChem CID 155515498) has the molecular formula C17H12N2O3S2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-(6-oxo-5H-phenanthridin-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(6-oxo-5H-phenanthridin-2-yl)thiophene-2-sulfonamide
PubChem CID155515498
Molecular FormulaC17H12N2O3S2
Molecular Weight356.43 g/mol
Exact Mass356.03
IUPAC NameN-(6-oxo-5H-phenanthridin-2-yl)thiophene-2-sulfonamide
SMILESO=c1[nH]c2ccc(NS(=O)(=O)c3cccs3)cc2c2ccccc12
InChIInChI=1S/C17H12N2O3S2/c20-17-13-5-2-1-4-12(13)14-10-11(7-8-15(14)18-17)19-24(21,22)16-6-3-9-23-16/h1-10,19H,(H,18,20)
InChIKeyNMSGNRLUBXXLHJ-UHFFFAOYSA-N
XLogP3.54
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.54
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 N-(6-oxo-5H-phenanthridin-2-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(6-oxo-5H-phenanthridin-2-yl)thiophene-2-sulfonamide (CID 155515498) is N-(6-oxo-5H-phenanthridin-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(6-oxo-5H-phenanthridin-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(6-oxo-5H-phenanthridin-2-yl)thiophene-2-sulfonamide is O=c1[nH]c2ccc(NS(=O)(=O)c3cccs3)cc2c2ccccc12.
What is the InChIKey of N-(6-oxo-5H-phenanthridin-2-yl)thiophene-2-sulfonamide?
The InChIKey is NMSGNRLUBXXLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3S2/c20-17-13-5-2-1-4-12(13)14-10-11(7-8-15(14)18-17)19-24(21,22)16-6-3-9-23-16/h1-10,19H,(H,18,20).
What are the key properties of N-(6-oxo-5H-phenanthridin-2-yl)thiophene-2-sulfonamide?
N-(6-oxo-5H-phenanthridin-2-yl)thiophene-2-sulfonamide has a molecular weight of 356.43 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-5H-phenanthridin-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 155515498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).