quinolin-8-yl 2,6-difluorobenzenesulfonate

C15H9F2NO3S — CID 30325132

IUPACquinolin-8-yl 2,6-difluorobenzenesulfonate
SMILESO=S(=O)(Oc1cccc2cccnc12)c1c(F)cccc1F
InChIInChI=1S/C15H9F2NO3S/c16-11-6-2-7-12(17)15(11)22(19,20)21-13-8-1-4-10-5-3-9-18-14(10)13/h1-9H
InChIKeyKQOUENBQZPSWHW-UHFFFAOYSA-N
MW321.30 g/mol
LogP3.28
Rot. Bonds3

About quinolin-8-yl 2,6-difluorobenzenesulfonate

quinolin-8-yl 2,6-difluorobenzenesulfonate (PubChem CID 30325132) has the molecular formula C15H9F2NO3S and a molecular weight of 321.30 g/mol. Its IUPAC name is quinolin-8-yl 2,6-difluorobenzenesulfonate.

Molecular Properties

Compound Namequinolin-8-yl 2,6-difluorobenzenesulfonate
PubChem CID30325132
Molecular FormulaC15H9F2NO3S
Molecular Weight321.30 g/mol
Exact Mass321.03
IUPAC Namequinolin-8-yl 2,6-difluorobenzenesulfonate
SMILESO=S(=O)(Oc1cccc2cccnc12)c1c(F)cccc1F
InChIInChI=1S/C15H9F2NO3S/c16-11-6-2-7-12(17)15(11)22(19,20)21-13-8-1-4-10-5-3-9-18-14(10)13/h1-9H
InChIKeyKQOUENBQZPSWHW-UHFFFAOYSA-N
XLogP3.28
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 53.28
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

quinolin-8-yl 4-iodobenzenesulfonate
CID 2295266
quinolin-8-yl 5-methylthiophene-2-sulfonate
CID 39791990
8-[4-(2-fluorophenoxy)butoxy]quinoline
CID 4302402
(2-methoxyphenyl) quinoline-8-sulfonate
CID 15944591
quinolin-8-yl 3-chlorobut-2-ene-1-sulfonate
CID 165356220
CID 137322014
CID 137322014
quinolin-8-yl 5-bromo-2-ethoxybenzenesulfonate
CID 26945835
quinolin-8-yl 2,3-dimethyl-5-nitrobenzenesulfonate
CID 26526896
(2-methylquinolin-8-yl) 2-fluorobenzenesulfonate
CID 31391529
quinolin-8-yl 2-methyl-4-nitrobenzenesulfonate
CID 37476858
oxo(quinolin-8-yloxy)borane
CID 54325003
tri(quinolin-8-yloxy)alumane
CID 16683111

Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl 2,6-difluorobenzenesulfonate?
The IUPAC name of quinolin-8-yl 2,6-difluorobenzenesulfonate (CID 30325132) is quinolin-8-yl 2,6-difluorobenzenesulfonate.
What is the SMILES notation for quinolin-8-yl 2,6-difluorobenzenesulfonate?
The canonical SMILES for quinolin-8-yl 2,6-difluorobenzenesulfonate is O=S(=O)(Oc1cccc2cccnc12)c1c(F)cccc1F.
What is the InChIKey of quinolin-8-yl 2,6-difluorobenzenesulfonate?
The InChIKey is KQOUENBQZPSWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2NO3S/c16-11-6-2-7-12(17)15(11)22(19,20)21-13-8-1-4-10-5-3-9-18-14(10)13/h1-9H.
What are the key properties of quinolin-8-yl 2,6-difluorobenzenesulfonate?
quinolin-8-yl 2,6-difluorobenzenesulfonate has a molecular weight of 321.30 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-yl 2,6-difluorobenzenesulfonate is sourced from PubChem (CID 30325132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).