3-(4-fluorophenyl)sulfanylquinoxaline-2-carboxamide

C15H10FN3OS — CID 175786325

IUPAC3-(4-fluorophenyl)sulfanylquinoxaline-2-carboxamide
SMILESNC(=O)c1nc2ccccc2nc1Sc1ccc(F)cc1
InChIInChI=1S/C15H10FN3OS/c16-9-5-7-10(8-6-9)21-15-13(14(17)20)18-11-3-1-2-4-12(11)19-15/h1-8H,(H2,17,20)
InChIKeyFGOKZFUTXXZUJE-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.02
Rot. Bonds3

About 3-(4-fluorophenyl)sulfanylquinoxaline-2-carboxamide

3-(4-fluorophenyl)sulfanylquinoxaline-2-carboxamide (PubChem CID 175786325) has the molecular formula C15H10FN3OS and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanylquinoxaline-2-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanylquinoxaline-2-carboxamide
PubChem CID175786325
Molecular FormulaC15H10FN3OS
Molecular Weight299.33 g/mol
Exact Mass299.05
IUPAC Name3-(4-fluorophenyl)sulfanylquinoxaline-2-carboxamide
SMILESNC(=O)c1nc2ccccc2nc1Sc1ccc(F)cc1
InChIInChI=1S/C15H10FN3OS/c16-9-5-7-10(8-6-9)21-15-13(14(17)20)18-11-3-1-2-4-12(11)19-15/h1-8H,(H2,17,20)
InChIKeyFGOKZFUTXXZUJE-UHFFFAOYSA-N
XLogP3.02
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanylquinoxaline-2-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)sulfanylquinoxaline-2-carboxamide (CID 175786325) is 3-(4-fluorophenyl)sulfanylquinoxaline-2-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanylquinoxaline-2-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfanylquinoxaline-2-carboxamide is NC(=O)c1nc2ccccc2nc1Sc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfanylquinoxaline-2-carboxamide?
The InChIKey is FGOKZFUTXXZUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3OS/c16-9-5-7-10(8-6-9)21-15-13(14(17)20)18-11-3-1-2-4-12(11)19-15/h1-8H,(H2,17,20).
What are the key properties of 3-(4-fluorophenyl)sulfanylquinoxaline-2-carboxamide?
3-(4-fluorophenyl)sulfanylquinoxaline-2-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanylquinoxaline-2-carboxamide is sourced from PubChem (CID 175786325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).