2-benzylsulfanyl-6-chloroquinoxaline

C15H11ClN2S — CID 70552724

IUPAC2-benzylsulfanyl-6-chloroquinoxaline
SMILESClc1ccc2nc(SCc3ccccc3)cnc2c1
InChIInChI=1S/C15H11ClN2S/c16-12-6-7-13-14(8-12)17-9-15(18-13)19-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyLPJLLBPAIZRKBN-UHFFFAOYSA-N
MW286.79 g/mol
LogP4.58
Rot. Bonds3

About 2-benzylsulfanyl-6-chloroquinoxaline

2-benzylsulfanyl-6-chloroquinoxaline (PubChem CID 70552724) has the molecular formula C15H11ClN2S and a molecular weight of 286.79 g/mol. Its IUPAC name is 2-benzylsulfanyl-6-chloroquinoxaline.

Molecular Properties

Compound Name2-benzylsulfanyl-6-chloroquinoxaline
PubChem CID70552724
Molecular FormulaC15H11ClN2S
Molecular Weight286.79 g/mol
Exact Mass286.03
IUPAC Name2-benzylsulfanyl-6-chloroquinoxaline
SMILESClc1ccc2nc(SCc3ccccc3)cnc2c1
InChIInChI=1S/C15H11ClN2S/c16-12-6-7-13-14(8-12)17-9-15(18-13)19-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyLPJLLBPAIZRKBN-UHFFFAOYSA-N
XLogP4.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.79
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-benzylsulfanyl-6-chloroquinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Chlorophenyl)quinoxaline
CID 754124
2-(Benzylsulfonyl)quinoxaline
CID 3585815
2-(Phenylsulfanyl)quinoxaline
CID 5100142
2-[(4-Chlorophenyl)sulfanyl]quinoxaline
CID 1480425
2-[(4-Methylphenyl)sulfanyl]quinoxaline
CID 3393241
2-(4-Chlorophenyl)sulfonylquinoxaline
CID 3720993
2-[(2-Chlorophenyl)sulfanyl]quinoxaline
CID 3740927
2-[(E)-2-(4-chlorophenyl)ethenyl]quinoxaline
CID 5714040
2-(4-Chlorophenyl)-4-(pyrrolo[1,2-a]quinoxalin-4-ylsulfanylmethyl)-1,3-thiazole
CID 2803795
6,7-Dichloro-2-phenylquinoxaline
CID 973096
4-Phenyl-2-(2-quinoxalin-2-ylethyl)-1,3-thiazole
CID 70648610
Quinoxaline, 2-(4-(methylthio)phenyl)-
CID 3040873

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-6-chloroquinoxaline?
The IUPAC name of 2-benzylsulfanyl-6-chloroquinoxaline (CID 70552724) is 2-benzylsulfanyl-6-chloroquinoxaline.
What is the SMILES notation for 2-benzylsulfanyl-6-chloroquinoxaline?
The canonical SMILES for 2-benzylsulfanyl-6-chloroquinoxaline is Clc1ccc2nc(SCc3ccccc3)cnc2c1.
What is the InChIKey of 2-benzylsulfanyl-6-chloroquinoxaline?
The InChIKey is LPJLLBPAIZRKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2S/c16-12-6-7-13-14(8-12)17-9-15(18-13)19-10-11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 2-benzylsulfanyl-6-chloroquinoxaline?
2-benzylsulfanyl-6-chloroquinoxaline has a molecular weight of 286.79 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-6-chloroquinoxaline is sourced from PubChem (CID 70552724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).