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

C17H20N4O2S — CID 666197

IUPACN-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2=NCN(Cc3ccccc3)CN2)cc1
InChIInChI=1S/C17H20N4O2S/c1-14-7-9-16(10-8-14)24(22,23)20-17-18-12-21(13-19-17)11-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H2,18,19,20)
InChIKeyVSXAVORPUGWWMJ-UHFFFAOYSA-N
MW344.44 g/mol
LogP1.65
Rot. Bonds4

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

N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide (PubChem CID 666197) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide
PubChem CID666197
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2=NCN(Cc3ccccc3)CN2)cc1
InChIInChI=1S/C17H20N4O2S/c1-14-7-9-16(10-8-14)24(22,23)20-17-18-12-21(13-19-17)11-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H2,18,19,20)
InChIKeyVSXAVORPUGWWMJ-UHFFFAOYSA-N
XLogP1.65
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.65
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-methylbenzenesulfonamide?
The IUPAC name of N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide (CID 666197) is N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2=NCN(Cc3ccccc3)CN2)cc1.
What is the InChIKey of N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide?
The InChIKey is VSXAVORPUGWWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-14-7-9-16(10-8-14)24(22,23)20-17-18-12-21(13-19-17)11-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H2,18,19,20).
What are the key properties of N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide?
N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 1.65, 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-methylbenzenesulfonamide is sourced from PubChem (CID 666197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).