(2R,6S)-2-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-6-(trifluoromethyl)morpholine

C19H20F3NO3S — CID 164674839

IUPAC(2R,6S)-2-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-6-(trifluoromethyl)morpholine
SMILESCc1ccc(S(=O)(=O)N2C[C@@H](C(F)(F)F)O[C@](C)(c3ccccc3)C2)cc1
InChIInChI=1S/C19H20F3NO3S/c1-14-8-10-16(11-9-14)27(24,25)23-12-17(19(20,21)22)26-18(2,13-23)15-6-4-3-5-7-15/h3-11,17H,12-13H2,1-2H3/t17-,18-/m0/s1
InChIKeyHPVGZYJDBACXSH-ROUUACIJSA-N
MW399.43 g/mol
LogP3.86
Rot. Bonds3

About (2R,6S)-2-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-6-(trifluoromethyl)morpholine

(2R,6S)-2-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-6-(trifluoromethyl)morpholine (PubChem CID 164674839) has the molecular formula C19H20F3NO3S and a molecular weight of 399.43 g/mol. Its IUPAC name is (2R,6S)-2-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-6-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name(2R,6S)-2-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-6-(trifluoromethyl)morpholine
PubChem CID164674839
Molecular FormulaC19H20F3NO3S
Molecular Weight399.43 g/mol
Exact Mass399.11
IUPAC Name(2R,6S)-2-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-6-(trifluoromethyl)morpholine
SMILESCc1ccc(S(=O)(=O)N2C[C@@H](C(F)(F)F)O[C@](C)(c3ccccc3)C2)cc1
InChIInChI=1S/C19H20F3NO3S/c1-14-8-10-16(11-9-14)27(24,25)23-12-17(19(20,21)22)26-18(2,13-23)15-6-4-3-5-7-15/h3-11,17H,12-13H2,1-2H3/t17-,18-/m0/s1
InChIKeyHPVGZYJDBACXSH-ROUUACIJSA-N
XLogP3.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Oxazine, tetrahydro-3-((4-methylphenyl)sulfonyl)-6-(4-morpholinylmethyl)-2-phenyl-
CID 218558
4-fluoro-N-(2-(2-phenylmorpholino)ethyl)benzenesulfonamide
CID 16892685
2,4-difluoro-N-(4-(2-phenylmorpholino)butyl)benzenesulfonamide
CID 16892888
4-((2,5-Difluorophenyl)sulfonyl)-2-phenylmorpholine
CID 16895232
4-((2-Fluorophenyl)sulfonyl)-2-phenylmorpholine
CID 16895234
3-[Bis(4-fluorophenyl)methoxy]-8-(4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 44357565
4-((Benzyloxy)methyl)-1-((2,6-difluorophenyl)sulfonyl)piperidine
CID 49677832
4-methyl-N-(1-phenylmethoxyprop-2-enyl)-N-[2-(trifluoromethyl)prop-2-enyl]benzenesulfonamide
CID 16723812
2-(4-Fluorophenyl)-4-tosylmorpholine
CID 42949939
(2R,3S)-2-(4-fluorophenyl)-6-methyl-4-(4-methylphenyl)sulfonyl-3-(2-methylpropyl)-2,3-dihydro-1,4-oxazine
CID 60154252
(2R,3S)-2-(4-fluorophenyl)-3,6-dimethyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-oxazine
CID 60154323
1-(Benzenesulfonyl)-4-fluoro-4-[methoxy(diphenyl)methyl]piperidine
CID 102053058

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-6-(trifluoromethyl)morpholine?
The IUPAC name of (2R,6S)-2-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-6-(trifluoromethyl)morpholine (CID 164674839) is (2R,6S)-2-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-6-(trifluoromethyl)morpholine.
What is the SMILES notation for (2R,6S)-2-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-6-(trifluoromethyl)morpholine?
The canonical SMILES for (2R,6S)-2-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-6-(trifluoromethyl)morpholine is Cc1ccc(S(=O)(=O)N2C[C@@H](C(F)(F)F)O[C@](C)(c3ccccc3)C2)cc1.
What is the InChIKey of (2R,6S)-2-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-6-(trifluoromethyl)morpholine?
The InChIKey is HPVGZYJDBACXSH-ROUUACIJSA-N. The full InChI is InChI=1S/C19H20F3NO3S/c1-14-8-10-16(11-9-14)27(24,25)23-12-17(19(20,21)22)26-18(2,13-23)15-6-4-3-5-7-15/h3-11,17H,12-13H2,1-2H3/t17-,18-/m0/s1.
What are the key properties of (2R,6S)-2-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-6-(trifluoromethyl)morpholine?
(2R,6S)-2-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-6-(trifluoromethyl)morpholine has a molecular weight of 399.43 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-6-(trifluoromethyl)morpholine is sourced from PubChem (CID 164674839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).