(2R,4R)-6-(benzenesulfonylmethyl)-2-(4-methylphenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyran

C20H19F3O3S — CID 101467482

IUPAC(2R,4R)-6-(benzenesulfonylmethyl)-2-(4-methylphenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyran
SMILESCc1ccc([C@H]2C[C@@H](C(F)(F)F)C=C(CS(=O)(=O)c3ccccc3)O2)cc1
InChIInChI=1S/C20H19F3O3S/c1-14-7-9-15(10-8-14)19-12-16(20(21,22)23)11-17(26-19)13-27(24,25)18-5-3-2-4-6-18/h2-11,16,19H,12-13H2,1H3/t16-,19+/m0/s1
InChIKeyFWMKAKFZHFJCGF-QFBILLFUSA-N
MW396.43 g/mol
LogP4.99
Rot. Bonds4

About (2R,4R)-6-(benzenesulfonylmethyl)-2-(4-methylphenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyran

(2R,4R)-6-(benzenesulfonylmethyl)-2-(4-methylphenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyran (PubChem CID 101467482) has the molecular formula C20H19F3O3S and a molecular weight of 396.43 g/mol. Its IUPAC name is (2R,4R)-6-(benzenesulfonylmethyl)-2-(4-methylphenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name(2R,4R)-6-(benzenesulfonylmethyl)-2-(4-methylphenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyran
PubChem CID101467482
Molecular FormulaC20H19F3O3S
Molecular Weight396.43 g/mol
Exact Mass396.10
IUPAC Name(2R,4R)-6-(benzenesulfonylmethyl)-2-(4-methylphenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyran
SMILESCc1ccc([C@H]2C[C@@H](C(F)(F)F)C=C(CS(=O)(=O)c3ccccc3)O2)cc1
InChIInChI=1S/C20H19F3O3S/c1-14-7-9-15(10-8-14)19-12-16(20(21,22)23)11-17(26-19)13-27(24,25)18-5-3-2-4-6-18/h2-11,16,19H,12-13H2,1H3/t16-,19+/m0/s1
InChIKeyFWMKAKFZHFJCGF-QFBILLFUSA-N
XLogP4.99
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzenesulfonyl)-1-[(1R,2R,4R)-2-(4-methylphenyl)-4-(trifluoromethyl)cyclobutyl]ethanone
CID 101467483
(4R,6S)-6-(4-methylphenyl)-4-phenyloxan-2-one
CID 127256657
methyl 6-(benzenesulfonylmethyl)-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46257652
(2R,3R)-2-(benzenesulfonyl)-3-(4-methylphenyl)oxirane
CID 135001050
(4-methylphenyl)sulfonylmethyl benzenesulfonate
CID 588187
2-(4-methylphenyl)-2,3-dihydrochromen-4-one
CID 2802466
1-methyl-4-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]benzene
CID 177388771
5-(benzenesulfonylmethyl)-N-[3-(trifluoromethyl)cyclohexyl]furan-2-carboxamide
CID 55534850
methyl (2R,4S)-4-(4-methylphenyl)-2-phenyl-3,4-dihydro-2H-pyran-6-carboxylate
CID 102435709
N-[[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]methyl]-4-methylbenzenesulfonamide
CID 102500654
3-[(4-methylphenyl)sulfonylmethyl]-1H-indene
CID 102313877
1-[(4-methylphenyl)methylsulfonyl]-3-(trifluoromethyl)benzene
CID 177392501

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-6-(benzenesulfonylmethyl)-2-(4-methylphenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyran?
The IUPAC name of (2R,4R)-6-(benzenesulfonylmethyl)-2-(4-methylphenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyran (CID 101467482) is (2R,4R)-6-(benzenesulfonylmethyl)-2-(4-methylphenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for (2R,4R)-6-(benzenesulfonylmethyl)-2-(4-methylphenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyran?
The canonical SMILES for (2R,4R)-6-(benzenesulfonylmethyl)-2-(4-methylphenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyran is Cc1ccc([C@H]2C[C@@H](C(F)(F)F)C=C(CS(=O)(=O)c3ccccc3)O2)cc1.
What is the InChIKey of (2R,4R)-6-(benzenesulfonylmethyl)-2-(4-methylphenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyran?
The InChIKey is FWMKAKFZHFJCGF-QFBILLFUSA-N. The full InChI is InChI=1S/C20H19F3O3S/c1-14-7-9-15(10-8-14)19-12-16(20(21,22)23)11-17(26-19)13-27(24,25)18-5-3-2-4-6-18/h2-11,16,19H,12-13H2,1H3/t16-,19+/m0/s1.
What are the key properties of (2R,4R)-6-(benzenesulfonylmethyl)-2-(4-methylphenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyran?
(2R,4R)-6-(benzenesulfonylmethyl)-2-(4-methylphenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyran has a molecular weight of 396.43 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-6-(benzenesulfonylmethyl)-2-(4-methylphenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 101467482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).