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

C18H22N4O2S — CID 666660

IUPAC4-methyl-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2=NCN(CCc3ccccc3)CN2)cc1
InChIInChI=1S/C18H22N4O2S/c1-15-7-9-17(10-8-15)25(23,24)21-18-19-13-22(14-20-18)12-11-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H2,19,20,21)
InChIKeyUSVBXQLYSJPYEK-UHFFFAOYSA-N
MW358.47 g/mol
LogP1.69
Rot. Bonds5

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

4-methyl-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide (PubChem CID 666660) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 4-methyl-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
PubChem CID666660
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name4-methyl-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2=NCN(CCc3ccccc3)CN2)cc1
InChIInChI=1S/C18H22N4O2S/c1-15-7-9-17(10-8-15)25(23,24)21-18-19-13-22(14-20-18)12-11-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H2,19,20,21)
InChIKeyUSVBXQLYSJPYEK-UHFFFAOYSA-N
XLogP1.69
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide (CID 666660) is 4-methyl-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2=NCN(CCc3ccccc3)CN2)cc1.
What is the InChIKey of 4-methyl-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
The InChIKey is USVBXQLYSJPYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-15-7-9-17(10-8-15)25(23,24)21-18-19-13-22(14-20-18)12-11-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H2,19,20,21).
What are the key properties of 4-methyl-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
4-methyl-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide has a molecular weight of 358.47 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide is sourced from PubChem (CID 666660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).