4-(4-fluoro-2-phenylmethoxyphenyl)-N-[3-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine

C24H21FN4O3S — CID 66571226

IUPAC4-(4-fluoro-2-phenylmethoxyphenyl)-N-[3-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine
SMILESCS(=O)(=O)Cc1cccc(Nc2ncnc(-c3ccc(F)cc3OCc3ccccc3)n2)c1
InChIInChI=1S/C24H21FN4O3S/c1-33(30,31)15-18-8-5-9-20(12-18)28-24-27-16-26-23(29-24)21-11-10-19(25)13-22(21)32-14-17-6-3-2-4-7-17/h2-13,16H,14-15H2,1H3,(H,26,27,28,29)
InChIKeyLWOIOAVZAUIQIB-UHFFFAOYSA-N
MW464.52 g/mol
LogP4.54
Rot. Bonds8

About 4-(4-fluoro-2-phenylmethoxyphenyl)-N-[3-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine

4-(4-fluoro-2-phenylmethoxyphenyl)-N-[3-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine (PubChem CID 66571226) has the molecular formula C24H21FN4O3S and a molecular weight of 464.52 g/mol. Its IUPAC name is 4-(4-fluoro-2-phenylmethoxyphenyl)-N-[3-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-fluoro-2-phenylmethoxyphenyl)-N-[3-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine
PubChem CID66571226
Molecular FormulaC24H21FN4O3S
Molecular Weight464.52 g/mol
Exact Mass464.13
IUPAC Name4-(4-fluoro-2-phenylmethoxyphenyl)-N-[3-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine
SMILESCS(=O)(=O)Cc1cccc(Nc2ncnc(-c3ccc(F)cc3OCc3ccccc3)n2)c1
InChIInChI=1S/C24H21FN4O3S/c1-33(30,31)15-18-8-5-9-20(12-18)28-24-27-16-26-23(29-24)21-11-10-19(25)13-22(21)32-14-17-6-3-2-4-7-17/h2-13,16H,14-15H2,1H3,(H,26,27,28,29)
InChIKeyLWOIOAVZAUIQIB-UHFFFAOYSA-N
XLogP4.54
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(4-fluoro-2-phenylmethoxyphenyl)-N-[3-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine 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-(4-fluoro-2-phenylmethoxyphenyl)-N-[3-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-fluoro-2-phenylmethoxyphenyl)-N-[3-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine (CID 66571226) is 4-(4-fluoro-2-phenylmethoxyphenyl)-N-[3-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-fluoro-2-phenylmethoxyphenyl)-N-[3-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-fluoro-2-phenylmethoxyphenyl)-N-[3-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine is CS(=O)(=O)Cc1cccc(Nc2ncnc(-c3ccc(F)cc3OCc3ccccc3)n2)c1.
What is the InChIKey of 4-(4-fluoro-2-phenylmethoxyphenyl)-N-[3-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is LWOIOAVZAUIQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3S/c1-33(30,31)15-18-8-5-9-20(12-18)28-24-27-16-26-23(29-24)21-11-10-19(25)13-22(21)32-14-17-6-3-2-4-7-17/h2-13,16H,14-15H2,1H3,(H,26,27,28,29).
What are the key properties of 4-(4-fluoro-2-phenylmethoxyphenyl)-N-[3-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine?
4-(4-fluoro-2-phenylmethoxyphenyl)-N-[3-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 464.52 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-phenylmethoxyphenyl)-N-[3-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 66571226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).