N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-2,3-dimethylbenzenesulfonamide

C27H22N2O3S2 — CID 58565619

IUPACN-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-2,3-dimethylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cc(Sc3cccc4cccnc34)c(O)c3ccccc23)c1C
InChIInChI=1S/C27H22N2O3S2/c1-17-8-5-14-25(18(17)2)34(31,32)29-22-16-24(27(30)21-12-4-3-11-20(21)22)33-23-13-6-9-19-10-7-15-28-26(19)23/h3-16,29-30H,1-2H3
InChIKeyPCOIXGOUDRTONC-UHFFFAOYSA-N
MW486.62 g/mol
LogP6.66
Rot. Bonds5

About N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-2,3-dimethylbenzenesulfonamide

N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-2,3-dimethylbenzenesulfonamide (PubChem CID 58565619) has the molecular formula C27H22N2O3S2 and a molecular weight of 486.62 g/mol. Its IUPAC name is N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-2,3-dimethylbenzenesulfonamide
PubChem CID58565619
Molecular FormulaC27H22N2O3S2
Molecular Weight486.62 g/mol
Exact Mass486.11
IUPAC NameN-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-2,3-dimethylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cc(Sc3cccc4cccnc34)c(O)c3ccccc23)c1C
InChIInChI=1S/C27H22N2O3S2/c1-17-8-5-14-25(18(17)2)34(31,32)29-22-16-24(27(30)21-12-4-3-11-20(21)22)33-23-13-6-9-19-10-7-15-28-26(19)23/h3-16,29-30H,1-2H3
InChIKeyPCOIXGOUDRTONC-UHFFFAOYSA-N
XLogP6.66
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 56.66
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'}

Analyze N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-2,3-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-2,3-dimethylbenzenesulfonamide?
The IUPAC name of N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-2,3-dimethylbenzenesulfonamide (CID 58565619) is N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-2,3-dimethylbenzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2cc(Sc3cccc4cccnc34)c(O)c3ccccc23)c1C.
What is the InChIKey of N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-2,3-dimethylbenzenesulfonamide?
The InChIKey is PCOIXGOUDRTONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O3S2/c1-17-8-5-14-25(18(17)2)34(31,32)29-22-16-24(27(30)21-12-4-3-11-20(21)22)33-23-13-6-9-19-10-7-15-28-26(19)23/h3-16,29-30H,1-2H3.
What are the key properties of N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-2,3-dimethylbenzenesulfonamide?
N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-2,3-dimethylbenzenesulfonamide has a molecular weight of 486.62 g/mol, XLogP of 6.66, 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)-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 58565619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).