(5,7-dichloroquinolin-8-yl) benzenesulfonate

C15H9Cl2NO3S — CID 2279090

IUPAC(5,7-dichloroquinolin-8-yl) benzenesulfonate
SMILESO=S(=O)(Oc1c(Cl)cc(Cl)c2cccnc12)c1ccccc1
InChIInChI=1S/C15H9Cl2NO3S/c16-12-9-13(17)15(14-11(12)7-4-8-18-14)21-22(19,20)10-5-2-1-3-6-10/h1-9H
InChIKeyNWXUDPLHLOQDKE-UHFFFAOYSA-N
MW354.21 g/mol
LogP4.31
Rot. Bonds3

About (5,7-dichloroquinolin-8-yl) benzenesulfonate

(5,7-dichloroquinolin-8-yl) benzenesulfonate (PubChem CID 2279090) has the molecular formula C15H9Cl2NO3S and a molecular weight of 354.21 g/mol. Its IUPAC name is (5,7-dichloroquinolin-8-yl) benzenesulfonate.

Molecular Properties

Compound Name(5,7-dichloroquinolin-8-yl) benzenesulfonate
PubChem CID2279090
Molecular FormulaC15H9Cl2NO3S
Molecular Weight354.21 g/mol
Exact Mass352.97
IUPAC Name(5,7-dichloroquinolin-8-yl) benzenesulfonate
SMILESO=S(=O)(Oc1c(Cl)cc(Cl)c2cccnc12)c1ccccc1
InChIInChI=1S/C15H9Cl2NO3S/c16-12-9-13(17)15(14-11(12)7-4-8-18-14)21-22(19,20)10-5-2-1-3-6-10/h1-9H
InChIKeyNWXUDPLHLOQDKE-UHFFFAOYSA-N
XLogP4.31
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.21
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

(5,7-dichloroquinolin-8-yl) 4-bromo-2,5-dimethylbenzenesulfonate
CID 21210191
(5,7-dichloroquinolin-8-yl) 4-propoxynaphthalene-1-sulfonate
CID 146095902
(5,7-dichloroquinolin-8-yl) 2-methyl-5-propan-2-ylbenzenesulfonate
CID 21210320
(5-chloroquinolin-8-yl) 3,4-dichlorobenzenesulfonate
CID 91669666
(5,7-dibromoquinolin-8-yl) 4-chloro-3-methylbenzenesulfonate
CID 21240819
5-chloro-8-hydroxyquinoline-7-carboxylic acid
CID 14534767
[5-(bromomethyl)quinolin-8-yl] benzenesulfonate
CID 10714644
(5,7-dichloroquinolin-8-yl) 2-bromobenzoate
CID 4196759
7-bromo-5-chloro-8-methoxyquinoline
CID 58763008
zinc bis(5-chloro-7-iodo-8-(111C)methoxyquinoline)
CID 10462414
tris(5,7-dichloroquinolin-8-olate);europium(3+)
CID 171040997
5,7-dichloroquinolin-8-ol;nickel
CID 175096460

Frequently Asked Questions

What is the IUPAC name of (5,7-dichloroquinolin-8-yl) benzenesulfonate?
The IUPAC name of (5,7-dichloroquinolin-8-yl) benzenesulfonate (CID 2279090) is (5,7-dichloroquinolin-8-yl) benzenesulfonate.
What is the SMILES notation for (5,7-dichloroquinolin-8-yl) benzenesulfonate?
The canonical SMILES for (5,7-dichloroquinolin-8-yl) benzenesulfonate is O=S(=O)(Oc1c(Cl)cc(Cl)c2cccnc12)c1ccccc1.
What is the InChIKey of (5,7-dichloroquinolin-8-yl) benzenesulfonate?
The InChIKey is NWXUDPLHLOQDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NO3S/c16-12-9-13(17)15(14-11(12)7-4-8-18-14)21-22(19,20)10-5-2-1-3-6-10/h1-9H.
What are the key properties of (5,7-dichloroquinolin-8-yl) benzenesulfonate?
(5,7-dichloroquinolin-8-yl) benzenesulfonate has a molecular weight of 354.21 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dichloroquinolin-8-yl) benzenesulfonate is sourced from PubChem (CID 2279090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).