N-[3-fluoro-5-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]propane-1-sulfonamide

C21H23FN4O4S — CID 71678497

IUPACN-[3-fluoro-5-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(F)cc(Oc2ccc3ncc(N4CCOCC4)nc3c2)c1
InChIInChI=1S/C21H23FN4O4S/c1-2-9-31(27,28)25-16-10-15(22)11-18(12-16)30-17-3-4-19-20(13-17)24-21(14-23-19)26-5-7-29-8-6-26/h3-4,10-14,25H,2,5-9H2,1H3
InChIKeyHTURSWMGNWAWLT-UHFFFAOYSA-N
MW446.50 g/mol
LogP3.55
Rot. Bonds7

About N-[3-fluoro-5-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]propane-1-sulfonamide

N-[3-fluoro-5-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]propane-1-sulfonamide (PubChem CID 71678497) has the molecular formula C21H23FN4O4S and a molecular weight of 446.50 g/mol. Its IUPAC name is N-[3-fluoro-5-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-fluoro-5-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]propane-1-sulfonamide
PubChem CID71678497
Molecular FormulaC21H23FN4O4S
Molecular Weight446.50 g/mol
Exact Mass446.14
IUPAC NameN-[3-fluoro-5-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(F)cc(Oc2ccc3ncc(N4CCOCC4)nc3c2)c1
InChIInChI=1S/C21H23FN4O4S/c1-2-9-31(27,28)25-16-10-15(22)11-18(12-16)30-17-3-4-19-20(13-17)24-21(14-23-19)26-5-7-29-8-6-26/h3-4,10-14,25H,2,5-9H2,1H3
InChIKeyHTURSWMGNWAWLT-UHFFFAOYSA-N
XLogP3.55
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-5-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]propane-1-sulfonamide?
The IUPAC name of N-[3-fluoro-5-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]propane-1-sulfonamide (CID 71678497) is N-[3-fluoro-5-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-fluoro-5-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-fluoro-5-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cc(F)cc(Oc2ccc3ncc(N4CCOCC4)nc3c2)c1.
What is the InChIKey of N-[3-fluoro-5-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]propane-1-sulfonamide?
The InChIKey is HTURSWMGNWAWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O4S/c1-2-9-31(27,28)25-16-10-15(22)11-18(12-16)30-17-3-4-19-20(13-17)24-21(14-23-19)26-5-7-29-8-6-26/h3-4,10-14,25H,2,5-9H2,1H3.
What are the key properties of N-[3-fluoro-5-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]propane-1-sulfonamide?
N-[3-fluoro-5-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]propane-1-sulfonamide has a molecular weight of 446.50 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-5-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]propane-1-sulfonamide is sourced from PubChem (CID 71678497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).