(2S)-4-pyridin-3-ylsulfonyl-2-[4-(trifluoromethyl)phenyl]morpholine

C16H15F3N2O3S — CID 95366963

IUPAC(2S)-4-pyridin-3-ylsulfonyl-2-[4-(trifluoromethyl)phenyl]morpholine
SMILESO=S(=O)(c1cccnc1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C16H15F3N2O3S/c17-16(18,19)13-5-3-12(4-6-13)15-11-21(8-9-24-15)25(22,23)14-2-1-7-20-10-14/h1-7,10,15H,8-9,11H2/t15-/m1/s1
InChIKeyKVGODWHPJMVCGT-OAHLLOKOSA-N
MW372.37 g/mol
LogP2.86
Rot. Bonds3

About (2S)-4-pyridin-3-ylsulfonyl-2-[4-(trifluoromethyl)phenyl]morpholine

(2S)-4-pyridin-3-ylsulfonyl-2-[4-(trifluoromethyl)phenyl]morpholine (PubChem CID 95366963) has the molecular formula C16H15F3N2O3S and a molecular weight of 372.37 g/mol. Its IUPAC name is (2S)-4-pyridin-3-ylsulfonyl-2-[4-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name(2S)-4-pyridin-3-ylsulfonyl-2-[4-(trifluoromethyl)phenyl]morpholine
PubChem CID95366963
Molecular FormulaC16H15F3N2O3S
Molecular Weight372.37 g/mol
Exact Mass372.08
IUPAC Name(2S)-4-pyridin-3-ylsulfonyl-2-[4-(trifluoromethyl)phenyl]morpholine
SMILESO=S(=O)(c1cccnc1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C16H15F3N2O3S/c17-16(18,19)13-5-3-12(4-6-13)15-11-21(8-9-24-15)25(22,23)14-2-1-7-20-10-14/h1-7,10,15H,8-9,11H2/t15-/m1/s1
InChIKeyKVGODWHPJMVCGT-OAHLLOKOSA-N
XLogP2.86
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylpyrimidin-2-yl)-4-pyridin-3-ylsulfonylmorpholine
CID 110115437
2-methyl-6-[(2R)-4-pyridin-3-ylsulfonylmorpholin-2-yl]pyrimidin-4-amine
CID 95847668
2-methyl-4-(4-pyridin-3-ylsulfonylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 136844394
(2S)-4-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]morpholine
CID 95366969
(2R)-4-(3-fluorophenyl)sulfonyl-2-pyrazin-2-ylmorpholine
CID 124978418
4-(3-fluorophenyl)sulfonyl-2-pyrazin-2-ylmorpholine
CID 127246297
2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine
CID 110326567
4-(benzenesulfonyl)-2-(4-ethylphenyl)morpholine
CID 110364047
sodium;hydride;hydron;4-pyridin-3-ylsulfonylmorpholine
CID 174965735
(2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine
CID 96545659
4-(benzenesulfonyl)-2-pyridin-2-ylmorpholine
CID 110270736
4-(6-tert-butylsulfonyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449768

Frequently Asked Questions

What is the IUPAC name of (2S)-4-pyridin-3-ylsulfonyl-2-[4-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of (2S)-4-pyridin-3-ylsulfonyl-2-[4-(trifluoromethyl)phenyl]morpholine (CID 95366963) is (2S)-4-pyridin-3-ylsulfonyl-2-[4-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for (2S)-4-pyridin-3-ylsulfonyl-2-[4-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for (2S)-4-pyridin-3-ylsulfonyl-2-[4-(trifluoromethyl)phenyl]morpholine is O=S(=O)(c1cccnc1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of (2S)-4-pyridin-3-ylsulfonyl-2-[4-(trifluoromethyl)phenyl]morpholine?
The InChIKey is KVGODWHPJMVCGT-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H15F3N2O3S/c17-16(18,19)13-5-3-12(4-6-13)15-11-21(8-9-24-15)25(22,23)14-2-1-7-20-10-14/h1-7,10,15H,8-9,11H2/t15-/m1/s1.
What are the key properties of (2S)-4-pyridin-3-ylsulfonyl-2-[4-(trifluoromethyl)phenyl]morpholine?
(2S)-4-pyridin-3-ylsulfonyl-2-[4-(trifluoromethyl)phenyl]morpholine has a molecular weight of 372.37 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-pyridin-3-ylsulfonyl-2-[4-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 95366963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).