N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)pyridine-3-sulfonamide

C24H17N3O3S2 — CID 58565726

IUPACN-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cc(Sc2cccc3cccnc23)c(O)c2ccccc12)c1cccnc1
InChIInChI=1S/C24H17N3O3S2/c28-24-19-10-2-1-9-18(19)20(27-32(29,30)17-8-5-12-25-15-17)14-22(24)31-21-11-3-6-16-7-4-13-26-23(16)21/h1-15,27-28H
InChIKeyDPFABHCNHHJVHG-UHFFFAOYSA-N
MW459.55 g/mol
LogP5.44
Rot. Bonds5

About N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)pyridine-3-sulfonamide

N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)pyridine-3-sulfonamide (PubChem CID 58565726) has the molecular formula C24H17N3O3S2 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)pyridine-3-sulfonamide
PubChem CID58565726
Molecular FormulaC24H17N3O3S2
Molecular Weight459.55 g/mol
Exact Mass459.07
IUPAC NameN-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cc(Sc2cccc3cccnc23)c(O)c2ccccc12)c1cccnc1
InChIInChI=1S/C24H17N3O3S2/c28-24-19-10-2-1-9-18(19)20(27-32(29,30)17-8-5-12-25-15-17)14-22(24)31-21-11-3-6-16-7-4-13-26-23(16)21/h1-15,27-28H
InChIKeyDPFABHCNHHJVHG-UHFFFAOYSA-N
XLogP5.44
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.55
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)pyridine-3-sulfonamide?
The IUPAC name of N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)pyridine-3-sulfonamide (CID 58565726) is N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)pyridine-3-sulfonamide?
The canonical SMILES for N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)pyridine-3-sulfonamide is O=S(=O)(Nc1cc(Sc2cccc3cccnc23)c(O)c2ccccc12)c1cccnc1.
What is the InChIKey of N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)pyridine-3-sulfonamide?
The InChIKey is DPFABHCNHHJVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O3S2/c28-24-19-10-2-1-9-18(19)20(27-32(29,30)17-8-5-12-25-15-17)14-22(24)31-21-11-3-6-16-7-4-13-26-23(16)21/h1-15,27-28H.
What are the key properties of N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)pyridine-3-sulfonamide?
N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)pyridine-3-sulfonamide has a molecular weight of 459.55 g/mol, XLogP of 5.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 58565726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).