N-(6-oxo-5H-phenanthridin-2-yl)propane-1-sulfonamide

C16H16N2O3S — CID 155550685

IUPACN-(6-oxo-5H-phenanthridin-2-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1
InChIInChI=1S/C16H16N2O3S/c1-2-9-22(20,21)18-11-7-8-15-14(10-11)12-5-3-4-6-13(12)16(19)17-15/h3-8,10,18H,2,9H2,1H3,(H,17,19)
InChIKeyFXBJMKIGTZIHCU-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.83
Rot. Bonds4

About N-(6-oxo-5H-phenanthridin-2-yl)propane-1-sulfonamide

N-(6-oxo-5H-phenanthridin-2-yl)propane-1-sulfonamide (PubChem CID 155550685) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-(6-oxo-5H-phenanthridin-2-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(6-oxo-5H-phenanthridin-2-yl)propane-1-sulfonamide
PubChem CID155550685
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN-(6-oxo-5H-phenanthridin-2-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1
InChIInChI=1S/C16H16N2O3S/c1-2-9-22(20,21)18-11-7-8-15-14(10-11)12-5-3-4-6-13(12)16(19)17-15/h3-8,10,18H,2,9H2,1H3,(H,17,19)
InChIKeyFXBJMKIGTZIHCU-UHFFFAOYSA-N
XLogP2.83
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.83
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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Related Compounds

6(5H)-Phenanthridinone
CID 1853
PJ-34
CID 4858
2-Nitro-6(5H)-phenanthridinone
CID 157180
6(5h)-Phenanthridinone, 2-amino-
CID 270668
N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 7066682
N-(1-Ethyl-2-Oxo-1,2-Dihydrobenzo[cd]indol-6-Yl)butane-1-Sulfonamide
CID 105539842
N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 4547230
N,N-diethyl-6-oxo-5,6-dihydrophenanthridine-2-sulfonamide
CID 6324455
Quinabactin
CID 16927350
4-(methanesulfonamido)-N-naphthalen-2-ylbenzamide
CID 2222002
N-2-biphenylyl-4-[(methylsulfonyl)amino]benzamide
CID 2969763
N-(3-ethylphenyl)-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 6621438

Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-5H-phenanthridin-2-yl)propane-1-sulfonamide?
The IUPAC name of N-(6-oxo-5H-phenanthridin-2-yl)propane-1-sulfonamide (CID 155550685) is N-(6-oxo-5H-phenanthridin-2-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(6-oxo-5H-phenanthridin-2-yl)propane-1-sulfonamide?
The canonical SMILES for N-(6-oxo-5H-phenanthridin-2-yl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1.
What is the InChIKey of N-(6-oxo-5H-phenanthridin-2-yl)propane-1-sulfonamide?
The InChIKey is FXBJMKIGTZIHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-2-9-22(20,21)18-11-7-8-15-14(10-11)12-5-3-4-6-13(12)16(19)17-15/h3-8,10,18H,2,9H2,1H3,(H,17,19).
What are the key properties of N-(6-oxo-5H-phenanthridin-2-yl)propane-1-sulfonamide?
N-(6-oxo-5H-phenanthridin-2-yl)propane-1-sulfonamide has a molecular weight of 316.38 g/mol, XLogP of 2.83, 4 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)propane-1-sulfonamide is sourced from PubChem (CID 155550685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).