6-oxo-N-(2-piperidin-1-ylethyl)-5H-phenanthridine-2-sulfonamide;hydrochloride

C20H24ClN3O3S — CID 45264345

IUPAC6-oxo-N-(2-piperidin-1-ylethyl)-5H-phenanthridine-2-sulfonamide;hydrochloride
SMILESCl.O=c1[nH]c2ccc(S(=O)(=O)NCCN3CCCCC3)cc2c2ccccc12
InChIInChI=1S/C20H23N3O3S.ClH/c24-20-17-7-3-2-6-16(17)18-14-15(8-9-19(18)22-20)27(25,26)21-10-13-23-11-4-1-5-12-23;/h2-3,6-9,14,21H,1,4-5,10-13H2,(H,22,24);1H
InChIKeyFOGKELUZUGGOLS-UHFFFAOYSA-N
MW421.95 g/mol
LogP2.87
Rot. Bonds5

About 6-oxo-N-(2-piperidin-1-ylethyl)-5H-phenanthridine-2-sulfonamide;hydrochloride

6-oxo-N-(2-piperidin-1-ylethyl)-5H-phenanthridine-2-sulfonamide;hydrochloride (PubChem CID 45264345) has the molecular formula C20H24ClN3O3S and a molecular weight of 421.95 g/mol. Its IUPAC name is 6-oxo-N-(2-piperidin-1-ylethyl)-5H-phenanthridine-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name6-oxo-N-(2-piperidin-1-ylethyl)-5H-phenanthridine-2-sulfonamide;hydrochloride
PubChem CID45264345
Molecular FormulaC20H24ClN3O3S
Molecular Weight421.95 g/mol
Exact Mass421.12
IUPAC Name6-oxo-N-(2-piperidin-1-ylethyl)-5H-phenanthridine-2-sulfonamide;hydrochloride
SMILESCl.O=c1[nH]c2ccc(S(=O)(=O)NCCN3CCCCC3)cc2c2ccccc12
InChIInChI=1S/C20H23N3O3S.ClH/c24-20-17-7-3-2-6-16(17)18-14-15(8-9-19(18)22-20)27(25,26)21-10-13-23-11-4-1-5-12-23;/h2-3,6-9,14,21H,1,4-5,10-13H2,(H,22,24);1H
InChIKeyFOGKELUZUGGOLS-UHFFFAOYSA-N
XLogP2.87
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.95
LogP ≤ 52.87
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 6-oxo-N-(2-piperidin-1-ylethyl)-5H-phenanthridine-2-sulfonamide;hydrochloride?
The IUPAC name of 6-oxo-N-(2-piperidin-1-ylethyl)-5H-phenanthridine-2-sulfonamide;hydrochloride (CID 45264345) is 6-oxo-N-(2-piperidin-1-ylethyl)-5H-phenanthridine-2-sulfonamide;hydrochloride.
What is the SMILES notation for 6-oxo-N-(2-piperidin-1-ylethyl)-5H-phenanthridine-2-sulfonamide;hydrochloride?
The canonical SMILES for 6-oxo-N-(2-piperidin-1-ylethyl)-5H-phenanthridine-2-sulfonamide;hydrochloride is Cl.O=c1[nH]c2ccc(S(=O)(=O)NCCN3CCCCC3)cc2c2ccccc12.
What is the InChIKey of 6-oxo-N-(2-piperidin-1-ylethyl)-5H-phenanthridine-2-sulfonamide;hydrochloride?
The InChIKey is FOGKELUZUGGOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S.ClH/c24-20-17-7-3-2-6-16(17)18-14-15(8-9-19(18)22-20)27(25,26)21-10-13-23-11-4-1-5-12-23;/h2-3,6-9,14,21H,1,4-5,10-13H2,(H,22,24);1H.
What are the key properties of 6-oxo-N-(2-piperidin-1-ylethyl)-5H-phenanthridine-2-sulfonamide;hydrochloride?
6-oxo-N-(2-piperidin-1-ylethyl)-5H-phenanthridine-2-sulfonamide;hydrochloride has a molecular weight of 421.95 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(2-piperidin-1-ylethyl)-5H-phenanthridine-2-sulfonamide;hydrochloride is sourced from PubChem (CID 45264345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).