3-(2,5-dichlorophenyl)sulfanyl-N-(3-fluorophenyl)benzo[g]quinoxalin-2-amine

C24H14Cl2FN3S — CID 70164925

IUPAC3-(2,5-dichlorophenyl)sulfanyl-N-(3-fluorophenyl)benzo[g]quinoxalin-2-amine
SMILESFc1cccc(Nc2nc3cc4ccccc4cc3nc2Sc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C24H14Cl2FN3S/c25-16-8-9-19(26)22(12-16)31-24-23(28-18-7-3-6-17(27)13-18)29-20-10-14-4-1-2-5-15(14)11-21(20)30-24/h1-13H,(H,28,29)
InChIKeyHKJVKRXRUNDMDK-UHFFFAOYSA-N
MW466.37 g/mol
LogP8.12
Rot. Bonds4

About 3-(2,5-dichlorophenyl)sulfanyl-N-(3-fluorophenyl)benzo[g]quinoxalin-2-amine

3-(2,5-dichlorophenyl)sulfanyl-N-(3-fluorophenyl)benzo[g]quinoxalin-2-amine (PubChem CID 70164925) has the molecular formula C24H14Cl2FN3S and a molecular weight of 466.37 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)sulfanyl-N-(3-fluorophenyl)benzo[g]quinoxalin-2-amine.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)sulfanyl-N-(3-fluorophenyl)benzo[g]quinoxalin-2-amine
PubChem CID70164925
Molecular FormulaC24H14Cl2FN3S
Molecular Weight466.37 g/mol
Exact Mass465.03
IUPAC Name3-(2,5-dichlorophenyl)sulfanyl-N-(3-fluorophenyl)benzo[g]quinoxalin-2-amine
SMILESFc1cccc(Nc2nc3cc4ccccc4cc3nc2Sc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C24H14Cl2FN3S/c25-16-8-9-19(26)22(12-16)31-24-23(28-18-7-3-6-17(27)13-18)29-20-10-14-4-1-2-5-15(14)11-21(20)30-24/h1-13H,(H,28,29)
InChIKeyHKJVKRXRUNDMDK-UHFFFAOYSA-N
XLogP8.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.37
LogP ≤ 58.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)sulfanyl-N-(3-fluorophenyl)benzo[g]quinoxalin-2-amine?
The IUPAC name of 3-(2,5-dichlorophenyl)sulfanyl-N-(3-fluorophenyl)benzo[g]quinoxalin-2-amine (CID 70164925) is 3-(2,5-dichlorophenyl)sulfanyl-N-(3-fluorophenyl)benzo[g]quinoxalin-2-amine.
What is the SMILES notation for 3-(2,5-dichlorophenyl)sulfanyl-N-(3-fluorophenyl)benzo[g]quinoxalin-2-amine?
The canonical SMILES for 3-(2,5-dichlorophenyl)sulfanyl-N-(3-fluorophenyl)benzo[g]quinoxalin-2-amine is Fc1cccc(Nc2nc3cc4ccccc4cc3nc2Sc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 3-(2,5-dichlorophenyl)sulfanyl-N-(3-fluorophenyl)benzo[g]quinoxalin-2-amine?
The InChIKey is HKJVKRXRUNDMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl2FN3S/c25-16-8-9-19(26)22(12-16)31-24-23(28-18-7-3-6-17(27)13-18)29-20-10-14-4-1-2-5-15(14)11-21(20)30-24/h1-13H,(H,28,29).
What are the key properties of 3-(2,5-dichlorophenyl)sulfanyl-N-(3-fluorophenyl)benzo[g]quinoxalin-2-amine?
3-(2,5-dichlorophenyl)sulfanyl-N-(3-fluorophenyl)benzo[g]quinoxalin-2-amine has a molecular weight of 466.37 g/mol, XLogP of 8.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)sulfanyl-N-(3-fluorophenyl)benzo[g]quinoxalin-2-amine is sourced from PubChem (CID 70164925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).