3,5-difluoro-4-quinoxalin-2-ylsulfanylaniline

C14H9F2N3S — CID 62359508

IUPAC3,5-difluoro-4-quinoxalin-2-ylsulfanylaniline
SMILESNc1cc(F)c(Sc2cnc3ccccc3n2)c(F)c1
InChIInChI=1S/C14H9F2N3S/c15-9-5-8(17)6-10(16)14(9)20-13-7-18-11-3-1-2-4-12(11)19-13/h1-7H,17H2
InChIKeyYIEACLSWSHOAPS-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.64
Rot. Bonds2

About 3,5-difluoro-4-quinoxalin-2-ylsulfanylaniline

3,5-difluoro-4-quinoxalin-2-ylsulfanylaniline (PubChem CID 62359508) has the molecular formula C14H9F2N3S and a molecular weight of 289.31 g/mol. Its IUPAC name is 3,5-difluoro-4-quinoxalin-2-ylsulfanylaniline.

Molecular Properties

Compound Name3,5-difluoro-4-quinoxalin-2-ylsulfanylaniline
PubChem CID62359508
Molecular FormulaC14H9F2N3S
Molecular Weight289.31 g/mol
Exact Mass289.05
IUPAC Name3,5-difluoro-4-quinoxalin-2-ylsulfanylaniline
SMILESNc1cc(F)c(Sc2cnc3ccccc3n2)c(F)c1
InChIInChI=1S/C14H9F2N3S/c15-9-5-8(17)6-10(16)14(9)20-13-7-18-11-3-1-2-4-12(11)19-13/h1-7H,17H2
InChIKeyYIEACLSWSHOAPS-UHFFFAOYSA-N
XLogP3.64
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(Phenylsulfanyl)pyridin-3-amine
CID 819361
2-(Phenylsulfanyl)quinoxaline
CID 5100142
6-(Phenylsulfanyl)-3-pyridinamine
CID 699576
2-[(4-Chlorophenyl)sulfanyl]quinoxaline
CID 1480425
2-[(4-Methylphenyl)sulfanyl]quinoxaline
CID 3393241
2-[(4-Bromophenyl)sulfanyl]quinoxaline
CID 3749824
2-[(2-Chlorophenyl)sulfanyl]quinoxaline
CID 3740927
3-Phenylsulfanylmethyl-quinoxaline-5,7-diamine
CID 44362450
2-(Methylsulfanyl)quinoxaline
CID 351427
2-Methyl-3-phenylsulfanylquinoxaline
CID 899293
2-(3-Piperidin-1-ylpropylsulfanyl)quinoxaline
CID 76321644
Quinoxalin-2-yl carbamimidothioate
CID 419155

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-quinoxalin-2-ylsulfanylaniline?
The IUPAC name of 3,5-difluoro-4-quinoxalin-2-ylsulfanylaniline (CID 62359508) is 3,5-difluoro-4-quinoxalin-2-ylsulfanylaniline.
What is the SMILES notation for 3,5-difluoro-4-quinoxalin-2-ylsulfanylaniline?
The canonical SMILES for 3,5-difluoro-4-quinoxalin-2-ylsulfanylaniline is Nc1cc(F)c(Sc2cnc3ccccc3n2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-quinoxalin-2-ylsulfanylaniline?
The InChIKey is YIEACLSWSHOAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3S/c15-9-5-8(17)6-10(16)14(9)20-13-7-18-11-3-1-2-4-12(11)19-13/h1-7H,17H2.
What are the key properties of 3,5-difluoro-4-quinoxalin-2-ylsulfanylaniline?
3,5-difluoro-4-quinoxalin-2-ylsulfanylaniline has a molecular weight of 289.31 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-quinoxalin-2-ylsulfanylaniline is sourced from PubChem (CID 62359508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).