(2E)-4-chloro-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)penta-2,4-diene-2-sulfonamide

C24H19ClN2O3S2 — CID 143906950

IUPAC(2E)-4-chloro-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)penta-2,4-diene-2-sulfonamide
SMILESC=C(Cl)/C=C(\C)S(=O)(=O)Nc1cc(Sc2cccc3cccnc23)c(O)c2ccccc12
InChIInChI=1S/C24H19ClN2O3S2/c1-15(25)13-16(2)32(29,30)27-20-14-22(24(28)19-10-4-3-9-18(19)20)31-21-11-5-7-17-8-6-12-26-23(17)21/h3-14,27-28H,1H2,2H3/b16-13+
InChIKeyRBZNVDDXICYCPF-DTQAZKPQSA-N
MW483.01 g/mol
LogP6.64
Rot. Bonds6

About (2E)-4-chloro-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)penta-2,4-diene-2-sulfonamide

(2E)-4-chloro-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)penta-2,4-diene-2-sulfonamide (PubChem CID 143906950) has the molecular formula C24H19ClN2O3S2 and a molecular weight of 483.01 g/mol. Its IUPAC name is (2E)-4-chloro-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)penta-2,4-diene-2-sulfonamide.

Molecular Properties

Compound Name(2E)-4-chloro-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)penta-2,4-diene-2-sulfonamide
PubChem CID143906950
Molecular FormulaC24H19ClN2O3S2
Molecular Weight483.01 g/mol
Exact Mass482.05
IUPAC Name(2E)-4-chloro-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)penta-2,4-diene-2-sulfonamide
SMILESC=C(Cl)/C=C(\C)S(=O)(=O)Nc1cc(Sc2cccc3cccnc23)c(O)c2ccccc12
InChIInChI=1S/C24H19ClN2O3S2/c1-15(25)13-16(2)32(29,30)27-20-14-22(24(28)19-10-4-3-9-18(19)20)31-21-11-5-7-17-8-6-12-26-23(17)21/h3-14,27-28H,1H2,2H3/b16-13+
InChIKeyRBZNVDDXICYCPF-DTQAZKPQSA-N
XLogP6.64
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.01
LogP ≤ 56.64
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E)-4-chloro-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)penta-2,4-diene-2-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

(2Z)-3-fluoro-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)penta-2,4-diene-2-sulfonamide
CID 143906943
N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)quinoline-8-sulfonamide
CID 58565702
N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)benzenesulfonamide
CID 1296368
N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-3-methylbenzenesulfonamide
CID 90278720
N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-2,3-dimethylbenzenesulfonamide
CID 58565619
N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)pyridine-3-sulfonamide
CID 58565726
2-ethoxy-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)benzenesulfonamide
CID 58565699
1-(5-chlorothiophen-2-yl)-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)methanesulfonamide
CID 123407540
[(3E)-4-[[2,3-bis(ethenyl)-4-hydroxy-5-quinolin-8-ylsulfanylphenyl]sulfamoyl]penta-1,3-dien-2-yl]-methoxy-oxoazanium
CID 143906970
1-benzyl-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-3,5-dimethylpyrazole-4-sulfonamide
CID 58565564
(2E)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)-4-methylpenta-2,4-diene-2-sulfonamide
CID 143906947
N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 58565724

Frequently Asked Questions

What is the IUPAC name of (2E)-4-chloro-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)penta-2,4-diene-2-sulfonamide?
The IUPAC name of (2E)-4-chloro-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)penta-2,4-diene-2-sulfonamide (CID 143906950) is (2E)-4-chloro-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)penta-2,4-diene-2-sulfonamide.
What is the SMILES notation for (2E)-4-chloro-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)penta-2,4-diene-2-sulfonamide?
The canonical SMILES for (2E)-4-chloro-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)penta-2,4-diene-2-sulfonamide is C=C(Cl)/C=C(\C)S(=O)(=O)Nc1cc(Sc2cccc3cccnc23)c(O)c2ccccc12.
What is the InChIKey of (2E)-4-chloro-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)penta-2,4-diene-2-sulfonamide?
The InChIKey is RBZNVDDXICYCPF-DTQAZKPQSA-N. The full InChI is InChI=1S/C24H19ClN2O3S2/c1-15(25)13-16(2)32(29,30)27-20-14-22(24(28)19-10-4-3-9-18(19)20)31-21-11-5-7-17-8-6-12-26-23(17)21/h3-14,27-28H,1H2,2H3/b16-13+.
What are the key properties of (2E)-4-chloro-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)penta-2,4-diene-2-sulfonamide?
(2E)-4-chloro-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)penta-2,4-diene-2-sulfonamide has a molecular weight of 483.01 g/mol, XLogP of 6.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-chloro-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)penta-2,4-diene-2-sulfonamide is sourced from PubChem (CID 143906950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).