6-[3-fluoro-5-[3-(sulfinatoamino)propyl]benzoyl]quinoxaline

C18H15FN3O3S- — CID 71282439

IUPAC6-[3-fluoro-5-[3-(sulfinatoamino)propyl]benzoyl]quinoxaline
SMILESO=C(c1cc(F)cc(CCCNS(=O)[O-])c1)c1ccc2nccnc2c1
InChIInChI=1S/C18H16FN3O3S/c19-15-9-12(2-1-5-22-26(24)25)8-14(10-15)18(23)13-3-4-16-17(11-13)21-7-6-20-16/h3-4,6-11,22H,1-2,5H2,(H,24,25)/p-1
InChIKeyYKRVDLPSKDXPFW-UHFFFAOYSA-M
MW372.40 g/mol
LogP2.32
Rot. Bonds7

About 6-[3-fluoro-5-[3-(sulfinatoamino)propyl]benzoyl]quinoxaline

6-[3-fluoro-5-[3-(sulfinatoamino)propyl]benzoyl]quinoxaline (PubChem CID 71282439) has the molecular formula C18H15FN3O3S- and a molecular weight of 372.40 g/mol. Its IUPAC name is 6-[3-fluoro-5-[3-(sulfinatoamino)propyl]benzoyl]quinoxaline.

Molecular Properties

Compound Name6-[3-fluoro-5-[3-(sulfinatoamino)propyl]benzoyl]quinoxaline
PubChem CID71282439
Molecular FormulaC18H15FN3O3S-
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC Name6-[3-fluoro-5-[3-(sulfinatoamino)propyl]benzoyl]quinoxaline
SMILESO=C(c1cc(F)cc(CCCNS(=O)[O-])c1)c1ccc2nccnc2c1
InChIInChI=1S/C18H16FN3O3S/c19-15-9-12(2-1-5-22-26(24)25)8-14(10-15)18(23)13-3-4-16-17(11-13)21-7-6-20-16/h3-4,6-11,22H,1-2,5H2,(H,24,25)/p-1
InChIKeyYKRVDLPSKDXPFW-UHFFFAOYSA-M
XLogP2.32
TPSA95.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[3-fluoro-5-[3-(sulfinatoamino)propyl]benzoyl]quinoxaline?
The IUPAC name of 6-[3-fluoro-5-[3-(sulfinatoamino)propyl]benzoyl]quinoxaline (CID 71282439) is 6-[3-fluoro-5-[3-(sulfinatoamino)propyl]benzoyl]quinoxaline.
What is the SMILES notation for 6-[3-fluoro-5-[3-(sulfinatoamino)propyl]benzoyl]quinoxaline?
The canonical SMILES for 6-[3-fluoro-5-[3-(sulfinatoamino)propyl]benzoyl]quinoxaline is O=C(c1cc(F)cc(CCCNS(=O)[O-])c1)c1ccc2nccnc2c1.
What is the InChIKey of 6-[3-fluoro-5-[3-(sulfinatoamino)propyl]benzoyl]quinoxaline?
The InChIKey is YKRVDLPSKDXPFW-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H16FN3O3S/c19-15-9-12(2-1-5-22-26(24)25)8-14(10-15)18(23)13-3-4-16-17(11-13)21-7-6-20-16/h3-4,6-11,22H,1-2,5H2,(H,24,25)/p-1.
What are the key properties of 6-[3-fluoro-5-[3-(sulfinatoamino)propyl]benzoyl]quinoxaline?
6-[3-fluoro-5-[3-(sulfinatoamino)propyl]benzoyl]quinoxaline has a molecular weight of 372.40 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-fluoro-5-[3-(sulfinatoamino)propyl]benzoyl]quinoxaline is sourced from PubChem (CID 71282439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).