2,3-bis[(4-chlorophenyl)sulfanyl]quinoxaline

C20H12Cl2N2S2 — CID 2823797

IUPAC2,3-bis[(4-chlorophenyl)sulfanyl]quinoxaline
SMILESClc1ccc(Sc2nc3ccccc3nc2Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H12Cl2N2S2/c21-13-5-9-15(10-6-13)25-19-20(26-16-11-7-14(22)8-12-16)24-18-4-2-1-3-17(18)23-19/h1-12H
InChIKeyCDNFBRJFVITPFU-UHFFFAOYSA-N
MW415.37 g/mol
LogP7.24
Rot. Bonds4

About 2,3-bis[(4-chlorophenyl)sulfanyl]quinoxaline

2,3-bis[(4-chlorophenyl)sulfanyl]quinoxaline (PubChem CID 2823797) has the molecular formula C20H12Cl2N2S2 and a molecular weight of 415.37 g/mol. Its IUPAC name is 2,3-bis[(4-chlorophenyl)sulfanyl]quinoxaline.

Molecular Properties

Compound Name2,3-bis[(4-chlorophenyl)sulfanyl]quinoxaline
PubChem CID2823797
Molecular FormulaC20H12Cl2N2S2
Molecular Weight415.37 g/mol
Exact Mass413.98
IUPAC Name2,3-bis[(4-chlorophenyl)sulfanyl]quinoxaline
SMILESClc1ccc(Sc2nc3ccccc3nc2Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H12Cl2N2S2/c21-13-5-9-15(10-6-13)25-19-20(26-16-11-7-14(22)8-12-16)24-18-4-2-1-3-17(18)23-19/h1-12H
InChIKeyCDNFBRJFVITPFU-UHFFFAOYSA-N
XLogP7.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.37
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Chlorophenyl)sulfonylquinoxaline
CID 3720993
2-[(2-Chlorophenyl)sulfanyl]quinoxaline
CID 3740927
2-[(4-Chlorophenyl)sulfanyl]quinoxaline
CID 1480425
2-(4-Chlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
CID 134131845
2-Phenylsulfanyl-3-(trichloromethyl)quinoxaline
CID 164613939
2-(3-Chlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
CID 164616548
2-(2,4-Dichlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
CID 164618424
2-(4-Fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
CID 164618532
2-(2-Chlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
CID 164618672
2-(2-Fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
CID 164621242
2-(3-Fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
CID 164626207
2-(2,3-Dichlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
CID 164628651

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[(4-chlorophenyl)sulfanyl]quinoxaline?
The IUPAC name of 2,3-bis[(4-chlorophenyl)sulfanyl]quinoxaline (CID 2823797) is 2,3-bis[(4-chlorophenyl)sulfanyl]quinoxaline.
What is the SMILES notation for 2,3-bis[(4-chlorophenyl)sulfanyl]quinoxaline?
The canonical SMILES for 2,3-bis[(4-chlorophenyl)sulfanyl]quinoxaline is Clc1ccc(Sc2nc3ccccc3nc2Sc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2,3-bis[(4-chlorophenyl)sulfanyl]quinoxaline?
The InChIKey is CDNFBRJFVITPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2N2S2/c21-13-5-9-15(10-6-13)25-19-20(26-16-11-7-14(22)8-12-16)24-18-4-2-1-3-17(18)23-19/h1-12H.
What are the key properties of 2,3-bis[(4-chlorophenyl)sulfanyl]quinoxaline?
2,3-bis[(4-chlorophenyl)sulfanyl]quinoxaline has a molecular weight of 415.37 g/mol, XLogP of 7.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[(4-chlorophenyl)sulfanyl]quinoxaline is sourced from PubChem (CID 2823797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).