1-(5-chlorothiophen-2-yl)-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)methanesulfonamide

C24H17ClN2O3S3 — CID 123407540

IUPAC1-(5-chlorothiophen-2-yl)-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)s1)Nc1cc(Sc2cccc3cccnc23)c(O)c2ccccc12
InChIInChI=1S/C24H17ClN2O3S3/c25-22-11-10-16(31-22)14-33(29,30)27-19-13-21(24(28)18-8-2-1-7-17(18)19)32-20-9-3-5-15-6-4-12-26-23(15)20/h1-13,27-28H,14H2
InChIKeyCFQLOKXDJHPYCR-UHFFFAOYSA-N
MW513.07 g/mol
LogP6.90
Rot. Bonds6

About 1-(5-chlorothiophen-2-yl)-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)methanesulfonamide

1-(5-chlorothiophen-2-yl)-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)methanesulfonamide (PubChem CID 123407540) has the molecular formula C24H17ClN2O3S3 and a molecular weight of 513.07 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)methanesulfonamide
PubChem CID123407540
Molecular FormulaC24H17ClN2O3S3
Molecular Weight513.07 g/mol
Exact Mass512.01
IUPAC Name1-(5-chlorothiophen-2-yl)-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)s1)Nc1cc(Sc2cccc3cccnc23)c(O)c2ccccc12
InChIInChI=1S/C24H17ClN2O3S3/c25-22-11-10-16(31-22)14-33(29,30)27-19-13-21(24(28)18-8-2-1-7-17(18)19)32-20-9-3-5-15-6-4-12-26-23(15)20/h1-13,27-28H,14H2
InChIKeyCFQLOKXDJHPYCR-UHFFFAOYSA-N
XLogP6.90
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.07
LogP ≤ 56.90
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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Related Compounds

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)pyridine-3-sulfonamide
CID 58565726
3-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)propane-1-sulfonamide
CID 58565464
(2E)-4-chloro-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)penta-2,4-diene-2-sulfonamide
CID 143906950
N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-2,3-dimethylbenzenesulfonamide
CID 58565619
N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-3-methylbenzenesulfonamide
CID 90278720
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
N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 58565724
1-benzyl-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-3,5-dimethylpyrazole-4-sulfonamide
CID 58565564
N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxynaphthalen-1-yl]quinoline-8-sulfonamide
CID 58565777

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)methanesulfonamide?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)methanesulfonamide (CID 123407540) is 1-(5-chlorothiophen-2-yl)-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)methanesulfonamide.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)methanesulfonamide?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)methanesulfonamide is O=S(=O)(Cc1ccc(Cl)s1)Nc1cc(Sc2cccc3cccnc23)c(O)c2ccccc12.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)methanesulfonamide?
The InChIKey is CFQLOKXDJHPYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN2O3S3/c25-22-11-10-16(31-22)14-33(29,30)27-19-13-21(24(28)18-8-2-1-7-17(18)19)32-20-9-3-5-15-6-4-12-26-23(15)20/h1-13,27-28H,14H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)methanesulfonamide?
1-(5-chlorothiophen-2-yl)-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)methanesulfonamide has a molecular weight of 513.07 g/mol, XLogP of 6.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)methanesulfonamide is sourced from PubChem (CID 123407540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).