N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-fluorobenzenesulfonamide

C16H17FN4O2S — CID 25252183

IUPACN-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1=NCN(Cc2ccccc2)CN1)c1ccc(F)cc1
InChIInChI=1S/C16H17FN4O2S/c17-14-6-8-15(9-7-14)24(22,23)20-16-18-11-21(12-19-16)10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H2,18,19,20)
InChIKeyKBCZOLDVNDFXGR-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.48
Rot. Bonds4

About N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-fluorobenzenesulfonamide

N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-fluorobenzenesulfonamide (PubChem CID 25252183) has the molecular formula C16H17FN4O2S and a molecular weight of 348.40 g/mol. Its IUPAC name is N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-fluorobenzenesulfonamide
PubChem CID25252183
Molecular FormulaC16H17FN4O2S
Molecular Weight348.40 g/mol
Exact Mass348.11
IUPAC NameN-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1=NCN(Cc2ccccc2)CN1)c1ccc(F)cc1
InChIInChI=1S/C16H17FN4O2S/c17-14-6-8-15(9-7-14)24(22,23)20-16-18-11-21(12-19-16)10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H2,18,19,20)
InChIKeyKBCZOLDVNDFXGR-UHFFFAOYSA-N
XLogP1.48
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-fluorobenzenesulfonamide (CID 25252183) is N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-fluorobenzenesulfonamide is O=S(=O)(NC1=NCN(Cc2ccccc2)CN1)c1ccc(F)cc1.
What is the InChIKey of N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-fluorobenzenesulfonamide?
The InChIKey is KBCZOLDVNDFXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2S/c17-14-6-8-15(9-7-14)24(22,23)20-16-18-11-21(12-19-16)10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H2,18,19,20).
What are the key properties of N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-fluorobenzenesulfonamide?
N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-fluorobenzenesulfonamide has a molecular weight of 348.40 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 25252183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).