(2S,3R,5S)-3-fluoro-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolidin-2-ol

C17H18FNO3S — CID 132521078

IUPAC(2S,3R,5S)-3-fluoro-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolidin-2-ol
SMILESCc1ccc(S(=O)(=O)N2[C@H](c3ccccc3)C[C@@H](F)[C@@H]2O)cc1
InChIInChI=1S/C17H18FNO3S/c1-12-7-9-14(10-8-12)23(21,22)19-16(11-15(18)17(19)20)13-5-3-2-4-6-13/h2-10,15-17,20H,11H2,1H3/t15-,16+,17+/m1/s1
InChIKeyCOYPTEWBFDTXND-IKGGRYGDSA-N
MW335.40 g/mol
LogP2.79
Rot. Bonds3

About (2S,3R,5S)-3-fluoro-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolidin-2-ol

(2S,3R,5S)-3-fluoro-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolidin-2-ol (PubChem CID 132521078) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is (2S,3R,5S)-3-fluoro-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolidin-2-ol.

Molecular Properties

Compound Name(2S,3R,5S)-3-fluoro-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolidin-2-ol
PubChem CID132521078
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC Name(2S,3R,5S)-3-fluoro-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolidin-2-ol
SMILESCc1ccc(S(=O)(=O)N2[C@H](c3ccccc3)C[C@@H](F)[C@@H]2O)cc1
InChIInChI=1S/C17H18FNO3S/c1-12-7-9-14(10-8-12)23(21,22)19-16(11-15(18)17(19)20)13-5-3-2-4-6-13/h2-10,15-17,20H,11H2,1H3/t15-,16+,17+/m1/s1
InChIKeyCOYPTEWBFDTXND-IKGGRYGDSA-N
XLogP2.79
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
[(2S,5R)-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolidin-2-yl]methanol
CID 11336503
(2S,5R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolidine
CID 162399176
(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480
(2R,4R)-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine
CID 102473250
(2R,3R,5S)-1,4-bis-(4-methylphenyl)sulfonyl-2,3,5-triphenylpiperazine
CID 134953521
(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidin-2-ol
CID 11067091
(4R)-3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidine
CID 132992661
3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidine
CID 132992751
4-chloro-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine
CID 75025080
(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine-2-carbaldehyde
CID 134884122
(2S,3S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine
CID 24764030

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5S)-3-fluoro-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolidin-2-ol?
The IUPAC name of (2S,3R,5S)-3-fluoro-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolidin-2-ol (CID 132521078) is (2S,3R,5S)-3-fluoro-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolidin-2-ol.
What is the SMILES notation for (2S,3R,5S)-3-fluoro-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolidin-2-ol?
The canonical SMILES for (2S,3R,5S)-3-fluoro-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolidin-2-ol is Cc1ccc(S(=O)(=O)N2[C@H](c3ccccc3)C[C@@H](F)[C@@H]2O)cc1.
What is the InChIKey of (2S,3R,5S)-3-fluoro-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolidin-2-ol?
The InChIKey is COYPTEWBFDTXND-IKGGRYGDSA-N. The full InChI is InChI=1S/C17H18FNO3S/c1-12-7-9-14(10-8-12)23(21,22)19-16(11-15(18)17(19)20)13-5-3-2-4-6-13/h2-10,15-17,20H,11H2,1H3/t15-,16+,17+/m1/s1.
What are the key properties of (2S,3R,5S)-3-fluoro-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolidin-2-ol?
(2S,3R,5S)-3-fluoro-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolidin-2-ol has a molecular weight of 335.40 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5S)-3-fluoro-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolidin-2-ol is sourced from PubChem (CID 132521078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).