3-(3-chlorophenyl)sulfanyl-N-(3-fluorophenyl)benzo[g]quinoxalin-2-amine

C24H15ClFN3S — CID 70164140

IUPAC3-(3-chlorophenyl)sulfanyl-N-(3-fluorophenyl)benzo[g]quinoxalin-2-amine
SMILESFc1cccc(Nc2nc3cc4ccccc4cc3nc2Sc2cccc(Cl)c2)c1
InChIInChI=1S/C24H15ClFN3S/c25-17-7-3-10-20(13-17)30-24-23(27-19-9-4-8-18(26)14-19)28-21-11-15-5-1-2-6-16(15)12-22(21)29-24/h1-14H,(H,27,28)
InChIKeyILRAZPBYIKQSQE-UHFFFAOYSA-N
MW431.92 g/mol
LogP7.47
Rot. Bonds4

About 3-(3-chlorophenyl)sulfanyl-N-(3-fluorophenyl)benzo[g]quinoxalin-2-amine

3-(3-chlorophenyl)sulfanyl-N-(3-fluorophenyl)benzo[g]quinoxalin-2-amine (PubChem CID 70164140) has the molecular formula C24H15ClFN3S and a molecular weight of 431.92 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfanyl-N-(3-fluorophenyl)benzo[g]quinoxalin-2-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfanyl-N-(3-fluorophenyl)benzo[g]quinoxalin-2-amine
PubChem CID70164140
Molecular FormulaC24H15ClFN3S
Molecular Weight431.92 g/mol
Exact Mass431.07
IUPAC Name3-(3-chlorophenyl)sulfanyl-N-(3-fluorophenyl)benzo[g]quinoxalin-2-amine
SMILESFc1cccc(Nc2nc3cc4ccccc4cc3nc2Sc2cccc(Cl)c2)c1
InChIInChI=1S/C24H15ClFN3S/c25-17-7-3-10-20(13-17)30-24-23(27-19-9-4-8-18(26)14-19)28-21-11-15-5-1-2-6-16(15)12-22(21)29-24/h1-14H,(H,27,28)
InChIKeyILRAZPBYIKQSQE-UHFFFAOYSA-N
XLogP7.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.92
LogP ≤ 57.47
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-(3-chlorophenyl)sulfanyl-N-(3-fluorophenyl)benzo[g]quinoxalin-2-amine?
The IUPAC name of 3-(3-chlorophenyl)sulfanyl-N-(3-fluorophenyl)benzo[g]quinoxalin-2-amine (CID 70164140) is 3-(3-chlorophenyl)sulfanyl-N-(3-fluorophenyl)benzo[g]quinoxalin-2-amine.
What is the SMILES notation for 3-(3-chlorophenyl)sulfanyl-N-(3-fluorophenyl)benzo[g]quinoxalin-2-amine?
The canonical SMILES for 3-(3-chlorophenyl)sulfanyl-N-(3-fluorophenyl)benzo[g]quinoxalin-2-amine is Fc1cccc(Nc2nc3cc4ccccc4cc3nc2Sc2cccc(Cl)c2)c1.
What is the InChIKey of 3-(3-chlorophenyl)sulfanyl-N-(3-fluorophenyl)benzo[g]quinoxalin-2-amine?
The InChIKey is ILRAZPBYIKQSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClFN3S/c25-17-7-3-10-20(13-17)30-24-23(27-19-9-4-8-18(26)14-19)28-21-11-15-5-1-2-6-16(15)12-22(21)29-24/h1-14H,(H,27,28).
What are the key properties of 3-(3-chlorophenyl)sulfanyl-N-(3-fluorophenyl)benzo[g]quinoxalin-2-amine?
3-(3-chlorophenyl)sulfanyl-N-(3-fluorophenyl)benzo[g]quinoxalin-2-amine has a molecular weight of 431.92 g/mol, XLogP of 7.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfanyl-N-(3-fluorophenyl)benzo[g]quinoxalin-2-amine is sourced from PubChem (CID 70164140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).