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

C26H20N2O3S2 — CID 90278720

IUPACN-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cc(Sc3cccc4cccnc34)c(O)c3ccccc23)c1
InChIInChI=1S/C26H20N2O3S2/c1-17-7-4-10-19(15-17)33(30,31)28-22-16-24(26(29)21-12-3-2-11-20(21)22)32-23-13-5-8-18-9-6-14-27-25(18)23/h2-16,28-29H,1H3
InChIKeyTVPCRSIFNRFTKK-UHFFFAOYSA-N
MW472.59 g/mol
LogP6.35
Rot. Bonds5

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

N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-3-methylbenzenesulfonamide (PubChem CID 90278720) has the molecular formula C26H20N2O3S2 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-3-methylbenzenesulfonamide
PubChem CID90278720
Molecular FormulaC26H20N2O3S2
Molecular Weight472.59 g/mol
Exact Mass472.09
IUPAC NameN-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cc(Sc3cccc4cccnc34)c(O)c3ccccc23)c1
InChIInChI=1S/C26H20N2O3S2/c1-17-7-4-10-19(15-17)33(30,31)28-22-16-24(26(29)21-12-3-2-11-20(21)22)32-23-13-5-8-18-9-6-14-27-25(18)23/h2-16,28-29H,1H3
InChIKeyTVPCRSIFNRFTKK-UHFFFAOYSA-N
XLogP6.35
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 56.35
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)benzenesulfonamide
CID 1296368
N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)pyridine-3-sulfonamide
CID 58565726
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-dimethylbenzenesulfonamide
CID 58565619
N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 58565724
2-ethoxy-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)benzenesulfonamide
CID 58565699
(2E)-4-chloro-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)penta-2,4-diene-2-sulfonamide
CID 143906950
(2Z)-3-fluoro-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)penta-2,4-diene-2-sulfonamide
CID 143906943
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
3-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)propane-1-sulfonamide
CID 58565464
N-[2,3-bis(ethenyl)-4-hydroxy-5-quinolin-8-ylsulfanylphenyl]-4-bromobenzenesulfonamide
CID 156749759

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-3-methylbenzenesulfonamide (CID 90278720) is N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2cc(Sc3cccc4cccnc34)c(O)c3ccccc23)c1.
What is the InChIKey of N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-3-methylbenzenesulfonamide?
The InChIKey is TVPCRSIFNRFTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O3S2/c1-17-7-4-10-19(15-17)33(30,31)28-22-16-24(26(29)21-12-3-2-11-20(21)22)32-23-13-5-8-18-9-6-14-27-25(18)23/h2-16,28-29H,1H3.
What are the key properties of N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-3-methylbenzenesulfonamide?
N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-3-methylbenzenesulfonamide has a molecular weight of 472.59 g/mol, XLogP of 6.35, 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)-3-methylbenzenesulfonamide is sourced from PubChem (CID 90278720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).