2-(2,3,4-trifluoro-5-methoxyphenyl)sulfanylquinoxaline

C15H9F3N2OS — CID 139233569

IUPAC2-(2,3,4-trifluoro-5-methoxyphenyl)sulfanylquinoxaline
SMILESCOc1cc(Sc2cnc3ccccc3n2)c(F)c(F)c1F
InChIInChI=1S/C15H9F3N2OS/c1-21-10-6-11(14(17)15(18)13(10)16)22-12-7-19-8-4-2-3-5-9(8)20-12/h2-7H,1H3
InChIKeyMGDPHJOZDWUZOU-UHFFFAOYSA-N
MW322.31 g/mol
LogP4.21
Rot. Bonds3

About 2-(2,3,4-trifluoro-5-methoxyphenyl)sulfanylquinoxaline

2-(2,3,4-trifluoro-5-methoxyphenyl)sulfanylquinoxaline (PubChem CID 139233569) has the molecular formula C15H9F3N2OS and a molecular weight of 322.31 g/mol. Its IUPAC name is 2-(2,3,4-trifluoro-5-methoxyphenyl)sulfanylquinoxaline.

Molecular Properties

Compound Name2-(2,3,4-trifluoro-5-methoxyphenyl)sulfanylquinoxaline
PubChem CID139233569
Molecular FormulaC15H9F3N2OS
Molecular Weight322.31 g/mol
Exact Mass322.04
IUPAC Name2-(2,3,4-trifluoro-5-methoxyphenyl)sulfanylquinoxaline
SMILESCOc1cc(Sc2cnc3ccccc3n2)c(F)c(F)c1F
InChIInChI=1S/C15H9F3N2OS/c1-21-10-6-11(14(17)15(18)13(10)16)22-12-7-19-8-4-2-3-5-9(8)20-12/h2-7H,1H3
InChIKeyMGDPHJOZDWUZOU-UHFFFAOYSA-N
XLogP4.21
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-2,3-difluoro-5-methoxyphenoxy)quinoxaline
CID 139233547
3,5-difluoro-4-quinoxalin-2-ylsulfanylaniline
CID 62359508
N-(2,4-difluoro-3,5-dimethoxyphenyl)quinoxalin-2-amine
CID 139233455
3-(2,5-dimethylphenyl)sulfanylbenzo[g]quinoxaline
CID 70163910
4-fluoro-6-(2-methoxyphenyl)sulfanylpyrimidine
CID 115417343
2-(2-methoxyphenyl)sulfanylquinoline-4-carbonitrile
CID 63886061
6-chloro-2-(6-chloroquinoxalin-2-yl)sulfanylquinoxaline
CID 169101124
N-(4-chloro-2-fluoro-3,5-dimethoxyphenyl)-N-methylquinoxalin-2-amine
CID 139233473
2-(3-chloro-2-methylpropyl)sulfanylquinoxaline
CID 66103567
6-chloro-2-quinoxalin-2-ylsulfanylpyrimidin-4-amine
CID 152696720
2-(2-fluorophenoxy)quinoxaline
CID 10537993
N-methyl-N-(2,3,4,5-tetrafluorophenyl)quinoxalin-2-amine
CID 139233488

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4-trifluoro-5-methoxyphenyl)sulfanylquinoxaline?
The IUPAC name of 2-(2,3,4-trifluoro-5-methoxyphenyl)sulfanylquinoxaline (CID 139233569) is 2-(2,3,4-trifluoro-5-methoxyphenyl)sulfanylquinoxaline.
What is the SMILES notation for 2-(2,3,4-trifluoro-5-methoxyphenyl)sulfanylquinoxaline?
The canonical SMILES for 2-(2,3,4-trifluoro-5-methoxyphenyl)sulfanylquinoxaline is COc1cc(Sc2cnc3ccccc3n2)c(F)c(F)c1F.
What is the InChIKey of 2-(2,3,4-trifluoro-5-methoxyphenyl)sulfanylquinoxaline?
The InChIKey is MGDPHJOZDWUZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2OS/c1-21-10-6-11(14(17)15(18)13(10)16)22-12-7-19-8-4-2-3-5-9(8)20-12/h2-7H,1H3.
What are the key properties of 2-(2,3,4-trifluoro-5-methoxyphenyl)sulfanylquinoxaline?
2-(2,3,4-trifluoro-5-methoxyphenyl)sulfanylquinoxaline has a molecular weight of 322.31 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4-trifluoro-5-methoxyphenyl)sulfanylquinoxaline is sourced from PubChem (CID 139233569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).