2-chloro-3-(4-fluorophenyl)sulfonylquinoxaline

C14H8ClFN2O2S — CID 141267279

IUPAC2-chloro-3-(4-fluorophenyl)sulfonylquinoxaline
SMILESO=S(=O)(c1ccc(F)cc1)c1nc2ccccc2nc1Cl
InChIInChI=1S/C14H8ClFN2O2S/c15-13-14(18-12-4-2-1-3-11(12)17-13)21(19,20)10-7-5-9(16)6-8-10/h1-8H
InChIKeyMZPLXDAAEGZICE-UHFFFAOYSA-N
MW322.75 g/mol
LogP3.26
Rot. Bonds2

About 2-chloro-3-(4-fluorophenyl)sulfonylquinoxaline

2-chloro-3-(4-fluorophenyl)sulfonylquinoxaline (PubChem CID 141267279) has the molecular formula C14H8ClFN2O2S and a molecular weight of 322.75 g/mol. Its IUPAC name is 2-chloro-3-(4-fluorophenyl)sulfonylquinoxaline.

Molecular Properties

Compound Name2-chloro-3-(4-fluorophenyl)sulfonylquinoxaline
PubChem CID141267279
Molecular FormulaC14H8ClFN2O2S
Molecular Weight322.75 g/mol
Exact Mass322.00
IUPAC Name2-chloro-3-(4-fluorophenyl)sulfonylquinoxaline
SMILESO=S(=O)(c1ccc(F)cc1)c1nc2ccccc2nc1Cl
InChIInChI=1S/C14H8ClFN2O2S/c15-13-14(18-12-4-2-1-3-11(12)17-13)21(19,20)10-7-5-9(16)6-8-10/h1-8H
InChIKeyMZPLXDAAEGZICE-UHFFFAOYSA-N
XLogP3.26
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(4-fluorophenyl)sulfonylquinoxaline?
The IUPAC name of 2-chloro-3-(4-fluorophenyl)sulfonylquinoxaline (CID 141267279) is 2-chloro-3-(4-fluorophenyl)sulfonylquinoxaline.
What is the SMILES notation for 2-chloro-3-(4-fluorophenyl)sulfonylquinoxaline?
The canonical SMILES for 2-chloro-3-(4-fluorophenyl)sulfonylquinoxaline is O=S(=O)(c1ccc(F)cc1)c1nc2ccccc2nc1Cl.
What is the InChIKey of 2-chloro-3-(4-fluorophenyl)sulfonylquinoxaline?
The InChIKey is MZPLXDAAEGZICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2O2S/c15-13-14(18-12-4-2-1-3-11(12)17-13)21(19,20)10-7-5-9(16)6-8-10/h1-8H.
What are the key properties of 2-chloro-3-(4-fluorophenyl)sulfonylquinoxaline?
2-chloro-3-(4-fluorophenyl)sulfonylquinoxaline has a molecular weight of 322.75 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(4-fluorophenyl)sulfonylquinoxaline is sourced from PubChem (CID 141267279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).