quinolin-8-yl 2-(naphthalen-2-ylsulfonylamino)benzoate

C26H18N2O4S — CID 3301854

IUPACquinolin-8-yl 2-(naphthalen-2-ylsulfonylamino)benzoate
SMILESO=C(Oc1cccc2cccnc12)c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C26H18N2O4S/c29-26(32-24-13-5-9-19-10-6-16-27-25(19)24)22-11-3-4-12-23(22)28-33(30,31)21-15-14-18-7-1-2-8-20(18)17-21/h1-17,28H
InChIKeyHJJZKUCJPMWFSO-UHFFFAOYSA-N
MW454.51 g/mol
LogP5.41
Rot. Bonds5

About quinolin-8-yl 2-(naphthalen-2-ylsulfonylamino)benzoate

quinolin-8-yl 2-(naphthalen-2-ylsulfonylamino)benzoate (PubChem CID 3301854) has the molecular formula C26H18N2O4S and a molecular weight of 454.51 g/mol. Its IUPAC name is quinolin-8-yl 2-(naphthalen-2-ylsulfonylamino)benzoate.

Molecular Properties

Compound Namequinolin-8-yl 2-(naphthalen-2-ylsulfonylamino)benzoate
PubChem CID3301854
Molecular FormulaC26H18N2O4S
Molecular Weight454.51 g/mol
Exact Mass454.10
IUPAC Namequinolin-8-yl 2-(naphthalen-2-ylsulfonylamino)benzoate
SMILESO=C(Oc1cccc2cccnc12)c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C26H18N2O4S/c29-26(32-24-13-5-9-19-10-6-16-27-25(19)24)22-11-3-4-12-23(22)28-33(30,31)21-15-14-18-7-1-2-8-20(18)17-21/h1-17,28H
InChIKeyHJJZKUCJPMWFSO-UHFFFAOYSA-N
XLogP5.41
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.51
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

diquinolin-8-yl benzene-1,2-dicarboxylate
CID 154085915
quinolin-8-yl 2-ethenylbenzoate
CID 162003110
quinolin-8-yl 1-hydroxynaphthalene-2-carboxylate
CID 90474305
N-[5-(naphthalen-2-ylsulfonylamino)naphthalen-1-yl]naphthalene-2-sulfonamide
CID 3407912
N-[2-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-sulfonamide
CID 1095030
4-[(2-methoxyphenyl)sulfamoyl]-N-quinolin-8-ylbenzamide
CID 31321858
N-benzo[h]quinolin-10-yl-4-methoxybenzenesulfonamide
CID 102274855
methyl 2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]benzoate
CID 126458941
phenyl quinoline-8-carboxylate
CID 2227226
4-iodo-N-quinolin-8-ylbenzenesulfonamide
CID 25048748
6-amino-N-quinolin-8-ylpyridine-3-sulfonamide
CID 62164738
phenyl 2-[(4-methylphenyl)sulfonylamino]benzoate
CID 154135516

Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl 2-(naphthalen-2-ylsulfonylamino)benzoate?
The IUPAC name of quinolin-8-yl 2-(naphthalen-2-ylsulfonylamino)benzoate (CID 3301854) is quinolin-8-yl 2-(naphthalen-2-ylsulfonylamino)benzoate.
What is the SMILES notation for quinolin-8-yl 2-(naphthalen-2-ylsulfonylamino)benzoate?
The canonical SMILES for quinolin-8-yl 2-(naphthalen-2-ylsulfonylamino)benzoate is O=C(Oc1cccc2cccnc12)c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of quinolin-8-yl 2-(naphthalen-2-ylsulfonylamino)benzoate?
The InChIKey is HJJZKUCJPMWFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O4S/c29-26(32-24-13-5-9-19-10-6-16-27-25(19)24)22-11-3-4-12-23(22)28-33(30,31)21-15-14-18-7-1-2-8-20(18)17-21/h1-17,28H.
What are the key properties of quinolin-8-yl 2-(naphthalen-2-ylsulfonylamino)benzoate?
quinolin-8-yl 2-(naphthalen-2-ylsulfonylamino)benzoate has a molecular weight of 454.51 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-yl 2-(naphthalen-2-ylsulfonylamino)benzoate is sourced from PubChem (CID 3301854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).