4-fluoro-N-[3-(3-morpholin-4-ylpropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide

C16H24FN5O3S — CID 30466430

IUPAC4-fluoro-N-[3-(3-morpholin-4-ylpropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
SMILESO=S(=O)(NC1=NCN(CCCN2CCOCC2)CN1)c1ccc(F)cc1
InChIInChI=1S/C16H24FN5O3S/c17-14-2-4-15(5-3-14)26(23,24)20-16-18-12-22(13-19-16)7-1-6-21-8-10-25-11-9-21/h2-5H,1,6-13H2,(H2,18,19,20)
InChIKeyFFJNZVJETAYGLK-UHFFFAOYSA-N
MW385.47 g/mol
LogP0.00
Rot. Bonds6

About 4-fluoro-N-[3-(3-morpholin-4-ylpropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide

4-fluoro-N-[3-(3-morpholin-4-ylpropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide (PubChem CID 30466430) has the molecular formula C16H24FN5O3S and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-fluoro-N-[3-(3-morpholin-4-ylpropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[3-(3-morpholin-4-ylpropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
PubChem CID30466430
Molecular FormulaC16H24FN5O3S
Molecular Weight385.47 g/mol
Exact Mass385.16
IUPAC Name4-fluoro-N-[3-(3-morpholin-4-ylpropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
SMILESO=S(=O)(NC1=NCN(CCCN2CCOCC2)CN1)c1ccc(F)cc1
InChIInChI=1S/C16H24FN5O3S/c17-14-2-4-15(5-3-14)26(23,24)20-16-18-12-22(13-19-16)7-1-6-21-8-10-25-11-9-21/h2-5H,1,6-13H2,(H2,18,19,20)
InChIKeyFFJNZVJETAYGLK-UHFFFAOYSA-N
XLogP0.00
TPSA86.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(3-morpholin-4-ylpropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[3-(3-morpholin-4-ylpropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide (CID 30466430) is 4-fluoro-N-[3-(3-morpholin-4-ylpropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[3-(3-morpholin-4-ylpropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[3-(3-morpholin-4-ylpropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide is O=S(=O)(NC1=NCN(CCCN2CCOCC2)CN1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[3-(3-morpholin-4-ylpropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
The InChIKey is FFJNZVJETAYGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN5O3S/c17-14-2-4-15(5-3-14)26(23,24)20-16-18-12-22(13-19-16)7-1-6-21-8-10-25-11-9-21/h2-5H,1,6-13H2,(H2,18,19,20).
What are the key properties of 4-fluoro-N-[3-(3-morpholin-4-ylpropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
4-fluoro-N-[3-(3-morpholin-4-ylpropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide has a molecular weight of 385.47 g/mol, XLogP of 0.00, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-(3-morpholin-4-ylpropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide is sourced from PubChem (CID 30466430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).