2-(4-chlorophenyl)sulfanylquinoxaline

C14H9ClN2S — CID 1480425

IUPAC2-(4-chlorophenyl)sulfanylquinoxaline
SMILESClc1ccc(Sc2cnc3ccccc3n2)cc1
InChIInChI=1S/C14H9ClN2S/c15-10-5-7-11(8-6-10)18-14-9-16-12-3-1-2-4-13(12)17-14/h1-9H
InChIKeyXGGNPFHFOYOEOV-UHFFFAOYSA-N
MW272.76 g/mol
LogP4.43
Rot. Bonds2

About 2-(4-chlorophenyl)sulfanylquinoxaline

2-(4-chlorophenyl)sulfanylquinoxaline (PubChem CID 1480425) has the molecular formula C14H9ClN2S and a molecular weight of 272.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanylquinoxaline.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanylquinoxaline
PubChem CID1480425
Molecular FormulaC14H9ClN2S
Molecular Weight272.76 g/mol
Exact Mass272.02
IUPAC Name2-(4-chlorophenyl)sulfanylquinoxaline
SMILESClc1ccc(Sc2cnc3ccccc3n2)cc1
InChIInChI=1S/C14H9ClN2S/c15-10-5-7-11(8-6-10)18-14-9-16-12-3-1-2-4-13(12)17-14/h1-9H
InChIKeyXGGNPFHFOYOEOV-UHFFFAOYSA-N
XLogP4.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.76
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanylquinoxaline?
The IUPAC name of 2-(4-chlorophenyl)sulfanylquinoxaline (CID 1480425) is 2-(4-chlorophenyl)sulfanylquinoxaline.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanylquinoxaline?
The canonical SMILES for 2-(4-chlorophenyl)sulfanylquinoxaline is Clc1ccc(Sc2cnc3ccccc3n2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanylquinoxaline?
The InChIKey is XGGNPFHFOYOEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2S/c15-10-5-7-11(8-6-10)18-14-9-16-12-3-1-2-4-13(12)17-14/h1-9H.
What are the key properties of 2-(4-chlorophenyl)sulfanylquinoxaline?
2-(4-chlorophenyl)sulfanylquinoxaline has a molecular weight of 272.76 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanylquinoxaline is sourced from PubChem (CID 1480425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).