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

C17H19FN4O2S — CID 25251763

IUPAC4-fluoro-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
SMILESO=S(=O)(NC1=NCN(CCc2ccccc2)CN1)c1ccc(F)cc1
InChIInChI=1S/C17H19FN4O2S/c18-15-6-8-16(9-7-15)25(23,24)21-17-19-12-22(13-20-17)11-10-14-4-2-1-3-5-14/h1-9H,10-13H2,(H2,19,20,21)
InChIKeyOMRBFVYFFHJVNV-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.52
Rot. Bonds5

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

4-fluoro-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide (PubChem CID 25251763) has the molecular formula C17H19FN4O2S and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-fluoro-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
PubChem CID25251763
Molecular FormulaC17H19FN4O2S
Molecular Weight362.43 g/mol
Exact Mass362.12
IUPAC Name4-fluoro-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
SMILESO=S(=O)(NC1=NCN(CCc2ccccc2)CN1)c1ccc(F)cc1
InChIInChI=1S/C17H19FN4O2S/c18-15-6-8-16(9-7-15)25(23,24)21-17-19-12-22(13-20-17)11-10-14-4-2-1-3-5-14/h1-9H,10-13H2,(H2,19,20,21)
InChIKeyOMRBFVYFFHJVNV-UHFFFAOYSA-N
XLogP1.52
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide (CID 25251763) is 4-fluoro-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide is O=S(=O)(NC1=NCN(CCc2ccccc2)CN1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
The InChIKey is OMRBFVYFFHJVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2S/c18-15-6-8-16(9-7-15)25(23,24)21-17-19-12-22(13-20-17)11-10-14-4-2-1-3-5-14/h1-9H,10-13H2,(H2,19,20,21).
What are the key properties of 4-fluoro-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
4-fluoro-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide has a molecular weight of 362.43 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide is sourced from PubChem (CID 25251763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).