(3R,5R)-3-fluoro-3-methyl-1-(4-methylphenyl)sulfonyl-5-phenylpiperidine

C19H22FNO2S — CID 71477070

IUPAC(3R,5R)-3-fluoro-3-methyl-1-(4-methylphenyl)sulfonyl-5-phenylpiperidine
SMILESCc1ccc(S(=O)(=O)N2C[C@@H](c3ccccc3)C[C@@](C)(F)C2)cc1
InChIInChI=1S/C19H22FNO2S/c1-15-8-10-18(11-9-15)24(22,23)21-13-17(12-19(2,20)14-21)16-6-4-3-5-7-16/h3-11,17H,12-14H2,1-2H3/t17-,19+/m0/s1
InChIKeyZMEYJJBASBGJRH-PKOBYXMFSA-N
MW347.46 g/mol
LogP3.90
Rot. Bonds3

About (3R,5R)-3-fluoro-3-methyl-1-(4-methylphenyl)sulfonyl-5-phenylpiperidine

(3R,5R)-3-fluoro-3-methyl-1-(4-methylphenyl)sulfonyl-5-phenylpiperidine (PubChem CID 71477070) has the molecular formula C19H22FNO2S and a molecular weight of 347.46 g/mol. Its IUPAC name is (3R,5R)-3-fluoro-3-methyl-1-(4-methylphenyl)sulfonyl-5-phenylpiperidine.

Molecular Properties

Compound Name(3R,5R)-3-fluoro-3-methyl-1-(4-methylphenyl)sulfonyl-5-phenylpiperidine
PubChem CID71477070
Molecular FormulaC19H22FNO2S
Molecular Weight347.46 g/mol
Exact Mass347.14
IUPAC Name(3R,5R)-3-fluoro-3-methyl-1-(4-methylphenyl)sulfonyl-5-phenylpiperidine
SMILESCc1ccc(S(=O)(=O)N2C[C@@H](c3ccccc3)C[C@@](C)(F)C2)cc1
InChIInChI=1S/C19H22FNO2S/c1-15-8-10-18(11-9-15)24(22,23)21-13-17(12-19(2,20)14-21)16-6-4-3-5-7-16/h3-11,17H,12-14H2,1-2H3/t17-,19+/m0/s1
InChIKeyZMEYJJBASBGJRH-PKOBYXMFSA-N
XLogP3.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(4-methylphenyl)sulfonyl-3-phenylpiperidine
CID 134848114
1-methyl-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.1.1]heptan-6-one
CID 21310580
3-(4-methylphenyl)sulfonyl-6-phenyl-3-azabicyclo[3.1.0]hexane-1-carbaldehyde
CID 162367534
N-(benzenesulfonyl)-N-[(3R)-5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-yl]benzenesulfonamide
CID 162399997
5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol
CID 52950936
(1R,5S)-5-methyl-3-(4-methylphenyl)sulfonyl-6-oxa-3,7-diazabicyclo[3.2.1]octane
CID 11492900
(1R,5S,6R)-3-(4-methylphenyl)sulfonyl-6-phenyl-1-[(1R,2R)-2-phenylcyclopropyl]-3-azabicyclo[3.1.0]hexane
CID 139043151
(3R,4S)-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidine
CID 102182418
(1S,5R)-3-(4-methylphenyl)sulfonyl-1-phenyl-6-oxa-3-azabicyclo[3.1.0]hexane
CID 134928061
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
(7S,8aS)-8a-methyl-2-(4-methylphenyl)sulfonyl-7-phenyl-1,3,7,8-tetrahydroisoquinoline
CID 177452205
(4S,5R)-4-bromo-2-(4-methylphenyl)sulfonyl-5-phenyl-2-azaspiro[5.5]undeca-7,10-dien-9-one
CID 102291077

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-fluoro-3-methyl-1-(4-methylphenyl)sulfonyl-5-phenylpiperidine?
The IUPAC name of (3R,5R)-3-fluoro-3-methyl-1-(4-methylphenyl)sulfonyl-5-phenylpiperidine (CID 71477070) is (3R,5R)-3-fluoro-3-methyl-1-(4-methylphenyl)sulfonyl-5-phenylpiperidine.
What is the SMILES notation for (3R,5R)-3-fluoro-3-methyl-1-(4-methylphenyl)sulfonyl-5-phenylpiperidine?
The canonical SMILES for (3R,5R)-3-fluoro-3-methyl-1-(4-methylphenyl)sulfonyl-5-phenylpiperidine is Cc1ccc(S(=O)(=O)N2C[C@@H](c3ccccc3)C[C@@](C)(F)C2)cc1.
What is the InChIKey of (3R,5R)-3-fluoro-3-methyl-1-(4-methylphenyl)sulfonyl-5-phenylpiperidine?
The InChIKey is ZMEYJJBASBGJRH-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H22FNO2S/c1-15-8-10-18(11-9-15)24(22,23)21-13-17(12-19(2,20)14-21)16-6-4-3-5-7-16/h3-11,17H,12-14H2,1-2H3/t17-,19+/m0/s1.
What are the key properties of (3R,5R)-3-fluoro-3-methyl-1-(4-methylphenyl)sulfonyl-5-phenylpiperidine?
(3R,5R)-3-fluoro-3-methyl-1-(4-methylphenyl)sulfonyl-5-phenylpiperidine has a molecular weight of 347.46 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-fluoro-3-methyl-1-(4-methylphenyl)sulfonyl-5-phenylpiperidine is sourced from PubChem (CID 71477070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).