4-[4-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]-N-[3-[(methylsulfonimidoyl)methyl]phenyl]-1,3,5-triazin-2-amine

C24H21F2N5O2S — CID 71618654

IUPAC4-[4-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]-N-[3-[(methylsulfonimidoyl)methyl]phenyl]-1,3,5-triazin-2-amine
SMILES[H]N=S(C)(=O)Cc1cccc(Nc2ncnc(-c3ccc(F)cc3OCc3cccc(F)c3)n2)c1
InChIInChI=1S/C24H21F2N5O2S/c1-34(27,32)14-17-5-3-7-20(11-17)30-24-29-15-28-23(31-24)21-9-8-19(26)12-22(21)33-13-16-4-2-6-18(25)10-16/h2-12,15,27H,13-14H2,1H3,(H,28,29,30,31)
InChIKeyYPAQXRURXUKFGB-UHFFFAOYSA-N
MW481.53 g/mol
LogP5.32
Rot. Bonds8

About 4-[4-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]-N-[3-[(methylsulfonimidoyl)methyl]phenyl]-1,3,5-triazin-2-amine

4-[4-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]-N-[3-[(methylsulfonimidoyl)methyl]phenyl]-1,3,5-triazin-2-amine (PubChem CID 71618654) has the molecular formula C24H21F2N5O2S and a molecular weight of 481.53 g/mol. Its IUPAC name is 4-[4-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]-N-[3-[(methylsulfonimidoyl)methyl]phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[4-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]-N-[3-[(methylsulfonimidoyl)methyl]phenyl]-1,3,5-triazin-2-amine
PubChem CID71618654
Molecular FormulaC24H21F2N5O2S
Molecular Weight481.53 g/mol
Exact Mass481.14
IUPAC Name4-[4-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]-N-[3-[(methylsulfonimidoyl)methyl]phenyl]-1,3,5-triazin-2-amine
SMILES[H]N=S(C)(=O)Cc1cccc(Nc2ncnc(-c3ccc(F)cc3OCc3cccc(F)c3)n2)c1
InChIInChI=1S/C24H21F2N5O2S/c1-34(27,32)14-17-5-3-7-20(11-17)30-24-29-15-28-23(31-24)21-9-8-19(26)12-22(21)33-13-16-4-2-6-18(25)10-16/h2-12,15,27H,13-14H2,1H3,(H,28,29,30,31)
InChIKeyYPAQXRURXUKFGB-UHFFFAOYSA-N
XLogP5.32
TPSA100.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.53
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]-N-[3-[(methylsulfonimidoyl)methyl]phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-[4-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]-N-[3-[(methylsulfonimidoyl)methyl]phenyl]-1,3,5-triazin-2-amine (CID 71618654) is 4-[4-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]-N-[3-[(methylsulfonimidoyl)methyl]phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[4-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]-N-[3-[(methylsulfonimidoyl)methyl]phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[4-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]-N-[3-[(methylsulfonimidoyl)methyl]phenyl]-1,3,5-triazin-2-amine is [H]N=S(C)(=O)Cc1cccc(Nc2ncnc(-c3ccc(F)cc3OCc3cccc(F)c3)n2)c1.
What is the InChIKey of 4-[4-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]-N-[3-[(methylsulfonimidoyl)methyl]phenyl]-1,3,5-triazin-2-amine?
The InChIKey is YPAQXRURXUKFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O2S/c1-34(27,32)14-17-5-3-7-20(11-17)30-24-29-15-28-23(31-24)21-9-8-19(26)12-22(21)33-13-16-4-2-6-18(25)10-16/h2-12,15,27H,13-14H2,1H3,(H,28,29,30,31).
What are the key properties of 4-[4-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]-N-[3-[(methylsulfonimidoyl)methyl]phenyl]-1,3,5-triazin-2-amine?
4-[4-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]-N-[3-[(methylsulfonimidoyl)methyl]phenyl]-1,3,5-triazin-2-amine has a molecular weight of 481.53 g/mol, XLogP of 5.32, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]-N-[3-[(methylsulfonimidoyl)methyl]phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 71618654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).