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

C25H18N2O3S2 — CID 1296368

IUPACN-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Sc2cccc3cccnc23)c(O)c2ccccc12)c1ccccc1
InChIInChI=1S/C25H18N2O3S2/c28-25-20-13-5-4-12-19(20)21(27-32(29,30)18-10-2-1-3-11-18)16-23(25)31-22-14-6-8-17-9-7-15-26-24(17)22/h1-16,27-28H
InChIKeyPQIKPRFFZWZBIW-UHFFFAOYSA-N
MW458.56 g/mol
LogP6.05
Rot. Bonds5

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

N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)benzenesulfonamide (PubChem CID 1296368) has the molecular formula C25H18N2O3S2 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)benzenesulfonamide
PubChem CID1296368
Molecular FormulaC25H18N2O3S2
Molecular Weight458.56 g/mol
Exact Mass458.08
IUPAC NameN-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Sc2cccc3cccnc23)c(O)c2ccccc12)c1ccccc1
InChIInChI=1S/C25H18N2O3S2/c28-25-20-13-5-4-12-19(20)21(27-32(29,30)18-10-2-1-3-11-18)16-23(25)31-22-14-6-8-17-9-7-15-26-24(17)22/h1-16,27-28H
InChIKeyPQIKPRFFZWZBIW-UHFFFAOYSA-N
XLogP6.05
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)pyridine-3-sulfonamide
CID 58565726
N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-3-methylbenzenesulfonamide
CID 90278720
N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)quinoline-8-sulfonamide
CID 58565702
N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 58565724
N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-2,3-dimethylbenzenesulfonamide
CID 58565619
2-ethoxy-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)benzenesulfonamide
CID 58565699
(2Z)-3-fluoro-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)penta-2,4-diene-2-sulfonamide
CID 143906943
(2E)-4-chloro-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)penta-2,4-diene-2-sulfonamide
CID 143906950
1-benzyl-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-3,5-dimethylpyrazole-4-sulfonamide
CID 58565564
1-(5-chlorothiophen-2-yl)-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)methanesulfonamide
CID 123407540
N-[2,3-bis(ethenyl)-4-hydroxy-5-quinolin-8-ylsulfanylphenyl]-4-bromobenzenesulfonamide
CID 156749759
3-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)propane-1-sulfonamide
CID 58565464

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)benzenesulfonamide?
The IUPAC name of N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)benzenesulfonamide (CID 1296368) is N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)benzenesulfonamide?
The canonical SMILES for N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)benzenesulfonamide is O=S(=O)(Nc1cc(Sc2cccc3cccnc23)c(O)c2ccccc12)c1ccccc1.
What is the InChIKey of N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)benzenesulfonamide?
The InChIKey is PQIKPRFFZWZBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O3S2/c28-25-20-13-5-4-12-19(20)21(27-32(29,30)18-10-2-1-3-11-18)16-23(25)31-22-14-6-8-17-9-7-15-26-24(17)22/h1-16,27-28H.
What are the key properties of N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)benzenesulfonamide?
N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)benzenesulfonamide has a molecular weight of 458.56 g/mol, XLogP of 6.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)benzenesulfonamide is sourced from PubChem (CID 1296368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).