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6-(3-methylsulfonylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine

C23H22F3N3O4S — CID 11698872

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-(3-methylsulfonylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
SMILESCS(=O)(=O)c1cccc(-c2cc(N3CCOCC3)cc(Nc3ccc(OC(F)(F)F)cc3)n2)c1
InChIInChI=1S/C23H22F3N3O4S/c1-34(30,31)20-4-2-3-16(13-20)21-14-18(29-9-11-32-12-10-29)15-22(28-21)27-17-5-7-19(8-6-17)33-23(24,25)26/h2-8,13-15H,9-12H2,1H3,(H,27,28)
InChIKeyBMRYGSSBTMJWOE-UHFFFAOYSA-N
MW493.51 g/mol
LogP4.63
Rot. Bonds6

About 6-(3-methylsulfonylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine

6-(3-methylsulfonylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine (PubChem CID 11698872) has the molecular formula C23H22F3N3O4S and a molecular weight of 493.51 g/mol. Its IUPAC name is 6-(3-methylsulfonylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-(3-methylsulfonylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
PubChem CID11698872
Molecular FormulaC23H22F3N3O4S
Molecular Weight493.51 g/mol
Exact Mass493.13
IUPAC Name6-(3-methylsulfonylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
SMILESCS(=O)(=O)c1cccc(-c2cc(N3CCOCC3)cc(Nc3ccc(OC(F)(F)F)cc3)n2)c1
InChIInChI=1S/C23H22F3N3O4S/c1-34(30,31)20-4-2-3-16(13-20)21-14-18(29-9-11-32-12-10-29)15-22(28-21)27-17-5-7-19(8-6-17)33-23(24,25)26/h2-8,13-15H,9-12H2,1H3,(H,27,28)
InChIKeyBMRYGSSBTMJWOE-UHFFFAOYSA-N
XLogP4.63
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.51
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylsulfonylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine?
The IUPAC name of 6-(3-methylsulfonylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine (CID 11698872) is 6-(3-methylsulfonylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine.
What is the SMILES notation for 6-(3-methylsulfonylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine?
The canonical SMILES for 6-(3-methylsulfonylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine is CS(=O)(=O)c1cccc(-c2cc(N3CCOCC3)cc(Nc3ccc(OC(F)(F)F)cc3)n2)c1.
What is the InChIKey of 6-(3-methylsulfonylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine?
The InChIKey is BMRYGSSBTMJWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O4S/c1-34(30,31)20-4-2-3-16(13-20)21-14-18(29-9-11-32-12-10-29)15-22(28-21)27-17-5-7-19(8-6-17)33-23(24,25)26/h2-8,13-15H,9-12H2,1H3,(H,27,28).
What are the key properties of 6-(3-methylsulfonylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine?
6-(3-methylsulfonylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine has a molecular weight of 493.51 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylsulfonylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine is sourced from PubChem (CID 11698872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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